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BDBM50384121 CHEMBL2029678

SMILES: COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12

InChI Key: InChIKey=ACDVIHRBYWUYPZ-GGYSOQFKNA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50384121   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
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KEGG

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met


Bioorg Med Chem Lett 22: 4089-93 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
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PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-induced autophosphorylation of c-Met in human PC3 cells


Bioorg Med Chem Lett 22: 4089-93 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Incorporated , 360 Binney Street, Cambridge, Massachusetts 02142, United States.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) in absence of NADPH


J Med Chem 59: 2328-42 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Amgen Incorporated , 360 Binney Street, Cambridge, Massachusetts 02142, United States.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) in presence of NADPH


J Med Chem 59: 2328-42 (2016)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Amgen Incorporated , 360 Binney Street, Cambridge, Massachusetts 02142, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated f...


J Med Chem 59: 2328-42 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1/C23H22N6O3S/c1-14-10-21(33-26-14)28-7-6-20-22(23(28)30)29(27-25-20)15(2)16-4-5-19-17(11-16)12-18(13-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Incorporated , 360 Binney Street, Cambridge, Massachusetts 02142, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated f...


J Med Chem 59: 2328-42 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)