BDBM50113026 (2R,5R)-1-[4-(3-Cyano-benzyloxy)-benzenesulfonyl]-5-hydroxy-piperidine-2-carboxylic acid hydroxyamide::CHEMBL28678

SMILES: ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C#N)cc1

InChI Key: InChIKey=VODMHORGCWILKX-VQIMIIECSA-N

Data: 2 IC50

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 2 hits for monomerid = 50113026   

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))	BDBM50113026 ((2R,5R)-1-[4-(3-Cyano-benzyloxy)-benzenesulfonyl]-...) Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C#N)cc1 Show InChI InChI=1S/C20H21N3O6S/c21-11-14-2-1-3-15(10-14)13-29-17-5-7-18(8-6-17)30(27,28)23-12-16(24)4-9-19(23)20(25)22-26/h1-3,5-8,10,16,19,24,26H,4,9,12-13H2,(H,22,25)/t16-,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 Similars	PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50113026 ((2R,5R)-1-[4-(3-Cyano-benzyloxy)-benzenesulfonyl]-...) Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(c2)C#N)cc1 Show InChI InChI=1S/C20H21N3O6S/c21-11-14-2-1-3-15(10-14)13-29-17-5-7-18(8-6-17)30(27,28)23-12-16(24)4-9-19(23)20(25)22-26/h1-3,5-8,10,16,19,24,26H,4,9,12-13H2,(H,22,25)/t16-,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 Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair