BDBM50122457 CHEMBL3622486

SMILES: CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1

InChI Key: InChIKey=UVNSDPJUIFXSDS-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 = 50122457   

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))	BDBM50122457 (CHEMBL3622486) Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1 Show InChI InChI=1S/C37H41N7O4/c1-5-44(30-9-6-8-25(2)20-30)34(45)27-13-11-26(12-14-27)23-39-36-40-35(38-17-15-31-10-7-19-48-31)41-37(42-36)43-18-16-28-21-32(46-3)33(47-4)22-29(28)24-43/h6-14,19-22H,5,15-18,23-24H2,1-4H3,(H2,38,39,40,41,42)	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	163	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