BindingDB logo
myBDB logout

BDBM50383175 CHEMBL2031909

SMILES: COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

InChI Key: InChIKey=JLKHWWQNUUOAOS-DEOSSOPVSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50383175   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50383175
PNG
(CHEMBL2031909)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H28FN5O4/c1-36-29(24-9-6-15-33-24)28(31(39)37(36)20-7-4-3-5-8-20)30(38)35-19-10-13-27(23(32)17-19)41-26-14-16-34-25-18-21(40-2)11-12-22(25)26/h3-5,7-8,10-14,16-18,24,33H,6,9,15H2,1-2H3,(H,35,38)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50383175
PNG
(CHEMBL2031909)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H28FN5O4/c1-36-29(24-9-6-15-33-24)28(31(39)37(36)20-7-4-3-5-8-20)30(38)35-19-10-13-27(23(32)17-19)41-26-14-16-34-25-18-21(40-2)11-12-22(25)26/h3-5,7-8,10-14,16-18,24,33H,6,9,15H2,1-2H3,(H,35,38)/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50383175
PNG
(CHEMBL2031909)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H28FN5O4/c1-36-29(24-9-6-15-33-24)28(31(39)37(36)20-7-4-3-5-8-20)30(38)35-19-10-13-27(23(32)17-19)41-26-14-16-34-25-18-21(40-2)11-12-22(25)26/h3-5,7-8,10-14,16-18,24,33H,6,9,15H2,1-2H3,(H,35,38)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.24E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383175
PNG
(CHEMBL2031909)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H28FN5O4/c1-36-29(24-9-6-15-33-24)28(31(39)37(36)20-7-4-3-5-8-20)30(38)35-19-10-13-27(23(32)17-19)41-26-14-16-34-25-18-21(40-2)11-12-22(25)26/h3-5,7-8,10-14,16-18,24,33H,6,9,15H2,1-2H3,(H,35,38)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 327n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated c-Met autophosphorylation in human PC3 cells after 10 mins by quantitative electrochemiluminescent immunoassay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair