BDBM50309133 (2R,3R)-4-(4-benzylpiperidin-1-yl)-2,3-dihydroxy-4-oxo-N-(2-(thiophen-2-yl)ethyl)butanamide::CHEMBL598358

SMILES: O[C@H]([C@@H](O)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NCCc1cccs1

InChI Key: InChIKey=DRQJFQZGGDLNBQ-WOJBJXKFSA-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 = 50309133   

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))	BDBM50309133 ((2R,3R)-4-(4-benzylpiperidin-1-yl)-2,3-dihydroxy-4...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C22H28N2O4S/c25-19(21(27)23-11-8-18-7-4-14-29-18)20(26)22(28)24-12-9-17(10-13-24)15-16-5-2-1-3-6-16/h1-7,14,17,19-20,25-26H,8-13,15H2,(H,23,27)/t19-,20-/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	1.10E+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