BDBM50243044 CHEMBL4091791

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4ccsc4n3)C(=O)c2c1

InChI Key: InChIKey=JQHGTDFKNLFURA-SFHVURJKSA-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 = 50243044   

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))	BDBM50243044 (CHEMBL4091791) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4ccsc4n3)C(=O)c2c1 |r| Show InChI InChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/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	1.30	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