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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 13 entry = 50026291   
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))
BDBM50243930
PNG
(4-[1-(tert-Butoxymethyl)-1H-indol-3-yl]-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C26H30N2O5/c1-26(2,3)33-15-28-14-19(17-9-7-8-10-20(17)28)18-13-27-25(29)23(18)16-11-21(30-4)24(32-6)22(12-16)31-5/h7-12,14H,13,15H2,1-6H3,(H,27,29)
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Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50243931
PNG
(4-[1-(Phenoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C28H26N2O5/c1-32-24-13-18(14-25(33-2)27(24)34-3)26-21(15-29-28(26)31)22-16-30(23-12-8-7-11-20(22)23)17-35-19-9-5-4-6-10-19/h4-14,16H,15,17H2,1-3H3,(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair