BDBM50113039 (2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-benzenesulfonyl]-piperidine-2-carboxylic acid hydroxyamide::CHEMBL29068

SMILES: CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO

InChI Key: InChIKey=XMCYAYXTCCGUCU-DYESRHJHSA-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 = 50113039   

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))	BDBM50113039 ((2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-ben...) Show SMILES CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-15(2)20-6-4-3-5-16(20)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)7-12-21(24)22(26)23-27/h3-6,8-11,15,17,21,25,27H,7,12-14H2,1-2H3,(H,23,26)/t17-,21-/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	11	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))	BDBM50113039 ((2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-ben...) Show SMILES CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-15(2)20-6-4-3-5-16(20)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)7-12-21(24)22(26)23-27/h3-6,8-11,15,17,21,25,27H,7,12-14H2,1-2H3,(H,23,26)/t17-,21-/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
					More data for this Ligand-Target Pair