BDBM50243084 CHEMBL4074516

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(C)cc4o3)C(=O)c2c1F

InChI Key: InChIKey=RWWZREVQPBBDHM-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 = 50243084   

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))	BDBM50243084 (CHEMBL4074516) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cnc(C)cc4o3)C(=O)c2c1F |r| Show InChI InChI=1S/C21H17FN4O5/c1-10-5-14-12(7-23-10)6-15(31-14)21(19(28)24-20(29)25-21)9-26-8-11-3-4-13(30-2)17(22)16(11)18(26)27/h3-7H,8-9H2,1-2H3,(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 Patents Similars	Article PubMed	0.400	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