BDBM50462710 CHEMBL4251324

SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

InChI Key InChIKey=IMDMAPNWXDTADU-UHFFFAOYSA-N

Data  2 KI  35 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50462710   

TargetCyclin-dependent kinase 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCitron Rho-interacting kinase(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of CIT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetFocal adhesion kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FAK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of AURC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of AURB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of AURA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRAC-beta serine/threonine-protein kinase(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of AKT2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of AKT1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Sgk1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SGK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of GCK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase ZAP-70(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of ZAP70 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 7nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of KDR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase TBK1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of NAK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit epsilon(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of IKKi (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetProtein kinase C theta type(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PKCtheta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of JAK3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of FLT-3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 8(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of COT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PAK 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 10(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of JNK3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 7(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of TAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase SYK(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of SYK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargeteIF-2-alpha kinase GCN2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GCN2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetProtein kinase C epsilon type(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PKC-epsilon (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
Target3-phosphoinositide-dependent protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 10(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MLK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IRAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataKi:  13nMAssay Description:Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50462710(CHEMBL4251324)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed