BDBM50243096 CHEMBL4079834

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)C#N)C(=O)c2c1

InChI Key: InChIKey=WPCMLFCVTWELNB-NRFANRHFSA-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 = 50243096   

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))	BDBM50243096 (CHEMBL4079834) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)C#N)C(=O)c2c1 |r| Show InChI InChI=1S/C21H15N5O5/c1-30-12-3-2-11-9-26(18(27)13(11)6-12)10-21(19(28)24-20(29)25-21)17-7-14-15(8-22)23-5-4-16(14)31-17/h2-7H,9-10H2,1H3,(H2,24,25,28,29)/t21-/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	0.700	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