BDBM50343949 (2R,3R)-N-(4-(3-cyanopyridin-4-yl)benzyl)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrrolidin-1-yl)butanamide::CHEMBL1779621

SMILES: O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccncc1C#N

InChI Key: InChIKey=SJQXVRGUEYPOEU-UBFVSLLYSA-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 = 50343949   

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))	BDBM50343949 ((2R,3R)-N-(4-(3-cyanopyridin-4-yl)benzyl)-2,3-dihy...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccncc1C#N |r| Show InChI InChI=1S/C27H26N4O4/c28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34)/t23-,24-,25-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair