BDBM50309131 (2R,3R)-2,3-dihydroxy-4-(4-(3-methoxyphenyl)piperazin-1-yl)-4-oxo-N-(2-(thiophen-2-yl)ethyl)butanamide::CHEMBL599173

SMILES: COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1

InChI Key: InChIKey=CXOLUGYAQQDOJN-RTBURBONSA-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 = 50309131   

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))	BDBM50309131 ((2R,3R)-2,3-dihydroxy-4-(4-(3-methoxyphenyl)pipera...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H27N3O5S/c1-29-16-5-2-4-15(14-16)23-9-11-24(12-10-23)21(28)19(26)18(25)20(27)22-8-7-17-6-3-13-30-17/h2-6,13-14,18-19,25-26H,7-12H2,1H3,(H,22,27)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	400	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
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