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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hepatocyte growth factor receptor' and Ligand = 'BDBM50346348'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50346348
PNG
(CHEMBL1782649)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2c(c1)ccc1ncc(cc1c2=O)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-10-22-23(25-11-17)6-3-16-9-19(4-5-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 27.2n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to human unphosphorylated c-MET


Eur J Med Chem 46: 2043-57 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.057
BindingDB Entry DOI: 10.7270/Q2F47Q45
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50346348
PNG
(CHEMBL1782649)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2c(c1)ccc1ncc(cc1c2=O)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-10-22-23(25-11-17)6-3-16-9-19(4-5-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 4.40n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to human phosphorylated c-MET


Eur J Med Chem 46: 2043-57 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.057
BindingDB Entry DOI: 10.7270/Q2F47Q45
More data for this
Ligand-Target Pair