BDBM24942 CEP-1347::CHEMBL290352::methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)methyl]-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

InChI Key InChIKey=SCMLRESZJCKCTC-UHFFFAOYSA-N

Data  17 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 24942   

LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of protein kinase C (PKC) from rat brain homogenateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 23nMAssay Description:Inhibition of N-terminal GST-tagged recombinant MLK3 (unknown origin) expressed in insect cells incubated for 15 mins in presence of [gamma-32P]ATP b...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of recombinant GST-tagged MLK3 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMitogen-activated protein kinase kinase kinase 10(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 51nMAssay Description:Inhibition of recombinant GST-tagged MLK2 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMitogen-activated protein kinase kinase kinase 9(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 38nMAssay Description:Inhibition of recombinant GST-tagged MLK1 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetProtein delta homolog 1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 114nMAssay Description:Inhibition of DLK (unknown origin) using myelin basic protein as substrate preincubated for 15 mins measured after 30 mins in presence of [gamma-32P]...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 9(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 38nMAssay Description:Inhibition of recombinant GST-tagged human MLK1 KD (1 to 500 residues) expressed in baculovirus using myelin basic protein as substrate preincubated ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 10(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 51nMAssay Description:Inhibition of recombinant GST-tagged full length human MLK2 KD/LZ expressed in baculovirus using myelin basic protein as substrate preincubated for 1...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in baculovirus using myelin basic protein as substrate preincubated for 15 m...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 9(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 38nMpH: 7.2 T: 2°CAssay Description:The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 10(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 2nMAssay Description:Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 6nMAssay Description:Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 23nMAssay Description:Inhibition of Mixed lineage kinase 3 (MLK3)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 9(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 38nMAssay Description:Inhibition of Mixed lineage kinase 1 (MLK1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 10(Human)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 51nMAssay Description:Inhibition of Mixed lineage kinase 2(MLK2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of NGF high affinity receptor tyrosine kinase TrkAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 11(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM24942(methyl (15S,16R,18R)-10,23-bis[(ethylsulfanyl)meth...)
Affinity DataIC50: 64nMpH: 7.2 T: 2°CAssay Description:The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed