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SMILES: COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccc(cc2)C(=O)Nc2cccc(C)c2)n1

InChI Key: InChIKey=ZLUCIDRDUBHESZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122498   
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


(Homo sapiens (Human))		BDBM50122498
PNG
(CHEMBL3622499)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccc(cc2)C(=O)Nc2cccc(C)c2)n1
Show InChI InChI=1S/C36H45N9O3/c1-25-6-5-7-30(20-25)39-33(46)27-10-8-26(9-11-27)23-38-35-40-34(37-13-15-44-18-16-43(2)17-19-44)41-36(42-35)45-14-12-28-21-31(47-3)32(48-4)22-29(28)24-45/h5-11,20-22H,12-19,23-24H2,1-4H3,(H,39,46)(H2,37,38,40,41,42)
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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