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BDBM50103900 CHEMBL3594104

SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=ISZWBTOGMFFOKI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103900   
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))		BDBM50103900
PNG
(CHEMBL3594104)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-9.62,-6.65,;-10.39,-9.01,;-11.93,-8.85,;-12.44,-7.4,;-13.96,-7.13,;-14.95,-8.3,;-14.43,-9.75,;-12.91,-10.02,;-12.5,-11.18,;-9.62,-10.34,;-10.12,-11.47,;-8.11,-10.02,;-7.19,-10.83,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C36H38ClFN6O5/c1-23-34(42(3)36(46)44(23)29-9-6-5-8-26(29)37)35(45)40-24-10-11-31(27(38)20-24)49-30-12-13-39-28-22-33(32(47-4)21-25(28)30)48-19-7-14-43-17-15-41(2)16-18-43/h5-6,8-13,20-22H,7,14-19H2,1-4H3,(H,40,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay

Bioorg Med Chem 23: 4410-22 (2015)


BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair