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PDB code 4DEI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
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

  (304/304 = 100%)
(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc

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)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/304 = 100%)
(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc

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)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/304 = 100%)
(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
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)


Article DOI: 10.1016/j.bmcl.2012.04.072
BindingDB Entry DOI: 10.7270/Q2J67HZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/304 = 100%)
(Homo sapiens (Human))
BDBM50384121
PNG
(CHEMBL2029678)
Show SMILES COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cc(C)ns3)c(=O)c12 |r|
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
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)


Article DOI: 10.1016/j.bmcl.2012.04.072
BindingDB Entry DOI: 10.7270/Q2J67HZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output