BDBM50132621 (2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester::CHEMBL109267

SMILES: CCOC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1

InChI Key: InChIKey=FPHXOEUJYCDFQF-LAUBAEHRSA-N

Data: 4 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 4 hits for monomerid = 50132621   

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))	BDBM50132621 ((2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl...) Show SMILES CCOC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C23H29N3O7S/c1-4-32-23(28)25-13-14-26(21(17(25)3)22(27)24-29)34(30,31)20-11-9-19(10-12-20)33-15-18-8-6-5-7-16(18)2/h5-12,17,21,29H,4,13-15H2,1-3H3,(H,24,27)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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 Tumor necrosis factor-alpha (TNF-alpha) release in human whole blood				Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50132621 ((2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl...) Show SMILES CCOC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C23H29N3O7S/c1-4-32-23(28)25-13-14-26(21(17(25)3)22(27)24-29)34(30,31)20-11-9-19(10-12-20)33-15-18-8-6-5-7-16(18)2/h5-12,17,21,29H,4,13-15H2,1-3H3,(H,24,27)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant tumor necrosis factor-alpha converting enzyme.				Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50132621 ((2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl...) Show SMILES CCOC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C23H29N3O7S/c1-4-32-23(28)25-13-14-26(21(17(25)3)22(27)24-29)34(30,31)20-11-9-19(10-12-20)33-15-18-8-6-5-7-16(18)2/h5-12,17,21,29H,4,13-15H2,1-3H3,(H,24,27)/t17-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of matrix metalloprotease-13.				Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50132621 ((2S,3R)-3-Hydroxycarbamoyl-2-methyl-4-[4-(2-methyl...) Show SMILES CCOC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C23H29N3O7S/c1-4-32-23(28)25-13-14-26(21(17(25)3)22(27)24-29)34(30,31)20-11-9-19(10-12-20)33-15-18-8-6-5-7-16(18)2/h5-12,17,21,29H,4,13-15H2,1-3H3,(H,24,27)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of matrix metalloprotease-1.				Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM
					More data for this Ligand-Target Pair