BDBM374727 (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrahydro-1,15-ethenopyrazolo[4,3- f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)- one::US10246466, Example 93::US10618912, Example 93::US11291667, Compound 1

SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23

InChI Key InChIKey=FIKPXCOQUIZNHB-UHFFFAOYSA-N

Data  58 IC50  4 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 62 hits for monomerid = 374727   

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of ALK G1202R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 2D6(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 2.85E+4nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human pooled liver microsomes using midazolam and testosterone as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBDNF/NT-3 growth factors receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.0700nMAssay Description:Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate in presence of ATP by radiometric HotSpot kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of recombinant human His-tagged TRKA cytoplasmic domain (441 to 796 residues) expressed in insect cells using TK-sub biotin peptide substr...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of TRKA G623R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and me...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.480nMAssay Description:Inhibition of wild type TRKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.110nMAssay Description:Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1nMAssay Description:Inhibition of wild type TRAK (unknown origin) incubated for 30 mins by caliper mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of wild type ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 2C19(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.830nMAssay Description:Inhibition of TRKA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBDNF/NT-3 growth factors receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.0500nMAssay Description:Inhibition of TRKB (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of TRKC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of N-terminal hexa his tagged TRKA (485 to 795 residues) (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/T...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of TRKC (unknown origin) using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 44nMAssay Description:Inhibition of TRKA G667C mutant (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 4.90nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.0670nMMore data for this Ligand-Target Pair
In DepthDetails
PDB3D3D Structure (crystal)
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 39nMMore data for this Ligand-Target Pair
In DepthDetails

TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.320nMMore data for this Ligand-Target Pair
In DepthDetails
PDB3D3D Structure (crystal)
TargetBDNF/NT-3 growth factors receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.440nMMore data for this Ligand-Target Pair
In DepthDetails

TargetNT-3 growth factor receptor(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.550nMMore data for this Ligand-Target Pair
In DepthDetails

TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.170nMMore data for this Ligand-Target Pair
In DepthDetails

LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.01nMMore data for this Ligand-Target Pair
In DepthDetails

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of ALK G1202R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataKd:  5.70nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Turning Point Therapeutics

US Patent
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataKd:  0.0820nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataKd:  5.70nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of TRKA G595R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 8.40nMAssay Description:Inhibition of ROS1 G2032R mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 107nMAssay Description:Inhibition of SRC phosphorylation (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of ALK L1196M (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 13nMAssay Description:Inhibition of EML4/ALK phosphorylation (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Shanghai Institute of Pharmaceutical Industry Co.

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of ALK G1202R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 64nMAssay Description:Inhibition of EML4/ALK G1202R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by Cell Tite...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFocal adhesion kinase 1(Human)
Turning Point Therapeutics

US Patent
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 6.96nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 5.29nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Turning Point Therapeutics

US Patent
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.04nMAssay Description:The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Turning Point Therapeutics

US Patent
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataKd:  0.0820nMAssay Description:Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mi...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM374727(US10246466, Example 93 | (7S,13R)-11-fluoro-7,13-d...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
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