BDBM50122552 CHEMBL3622508

SMILES: CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1

InChI Key: InChIKey=HSGBWBKWOOWYRP-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 = 50122552   

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 (Homo sapiens (Human))	BDBM50122552 (CHEMBL3622508) Show SMILES CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C23H26N6O/c1-3-28(2)21(30)19-10-8-17(9-11-19)14-24-22-25-16-26-23(27-22)29-13-12-18-6-4-5-7-20(18)15-29/h4-11,16H,3,12-15H2,1-2H3,(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	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