BDBM50243093 CHEMBL4059950

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCN(C)CC3)c3cn[nH]c3)C(=O)c2c1

InChI Key: InChIKey=ZRXJYDCAGSDBET-LJAQVGFWSA-N

Data: 1 KI

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 = 50243093   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50243093 (CHEMBL4059950) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)N(C3CCN(C)CC3)c3cn[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C29H30N8O5/c1-35-9-7-18(8-10-35)37(19-13-30-31-14-19)25-6-5-23-22(32-25)12-24(42-23)29(27(39)33-28(40)34-29)16-36-15-17-3-4-20(41-2)11-21(17)26(36)38/h3-6,11-14,18H,7-10,15-16H2,1-2H3,(H,30,31)(H2,33,34,39,40)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of catalytic domain TACE (unknown origin) by FRET assay				Bioorg Med Chem Lett 27: 3037-3042 (2017) Article DOI: 10.1016/j.bmcl.2017.05.062 BindingDB Entry DOI: 10.7270/Q2319Z8G
					More data for this Ligand-Target Pair