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BDBM50122454 CHEMBL3622489

SMILES: CCN(C(=O)c1ccc(CNc2nc(Cl)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=BUHMQGSRRKXFKG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122454   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))		BDBM50122454
PNG
(CHEMBL3622489)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(Cl)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C31H33ClN6O3/c1-5-38(25-8-6-7-20(2)15-25)28(39)22-11-9-21(10-12-22)18-33-30-34-29(32)35-31(36-30)37-14-13-23-16-26(40-3)27(41-4)17-24(23)19-37/h6-12,15-17H,5,13-14,18-19H2,1-4H3,(H,33,34,35,36)
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PubMed
n/an/a 102n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...

ACS Med Chem Lett 6: 888-93 (2015)


BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair