BDBM50122458 CHEMBL3622485

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

InChI Key: InChIKey=WWMXRTXQOXWIEF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122458   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50122458 (CHEMBL3622485) Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCC(O)=O)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1 Show InChI InChI=1S/C33H37N7O5/c1-5-40(26-8-6-7-21(2)15-26)30(43)23-11-9-22(10-12-23)18-34-31-36-32(35-19-29(41)42)38-33(37-31)39-14-13-24-16-27(44-3)28(45-4)17-25(24)20-39/h6-12,15-17H,5,13-14,18-20H2,1-4H3,(H,41,42)(H2,34,35,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/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