BDBM50309135 (2R,3R)-2,3-dihydroxy-4-oxo-4-(4-(pyridin-2-yl)piperazin-1-yl)-N-(2-(thiophen-2-yl)ethyl)butanamide::CHEMBL597139

SMILES: O[C@H]([C@@H](O)C(=O)N1CCN(CC1)c1ccccn1)C(=O)NCCc1cccs1

InChI Key: InChIKey=GQQFYTQVBCYHQX-IAGOWNOFSA-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 = 50309135   

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))	BDBM50309135 ((2R,3R)-2,3-dihydroxy-4-oxo-4-(4-(pyridin-2-yl)pip...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCN(CC1)c1ccccn1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C19H24N4O4S/c24-16(18(26)21-8-6-14-4-3-13-28-14)17(25)19(27)23-11-9-22(10-12-23)15-5-1-2-7-20-15/h1-5,7,13,16-17,24-25H,6,8-12H2,(H,21,26)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair