BDBM50132638 (2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-piperazine-1,3-dicarboxylic acid 3-hydroxyamide 1-isopropylamide::CHEMBL111068

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

InChI Key: InChIKey=GCDCQOTVUSLXRJ-PGRDOPGGSA-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 = 50132638   

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))	BDBM50132638 ((2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzene...) Show SMILES CC(C)NC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C24H32N4O6S/c1-16(2)25-24(30)27-13-14-28(22(18(27)4)23(29)26-31)35(32,33)21-11-9-20(10-12-21)34-15-19-8-6-5-7-17(19)3/h5-12,16,18,22,31H,13-15H2,1-4H3,(H,25,30)(H,26,29)/t18-,22+/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	34	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50132638 ((2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzene...) Show SMILES CC(C)NC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C24H32N4O6S/c1-16(2)25-24(30)27-13-14-28(22(18(27)4)23(29)26-31)35(32,33)21-11-9-20(10-12-21)34-15-19-8-6-5-7-17(19)3/h5-12,16,18,22,31H,13-15H2,1-4H3,(H,25,30)(H,26,29)/t18-,22+/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
Interstitial collagenase (Homo sapiens (Human))	BDBM50132638 ((2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzene...) Show SMILES CC(C)NC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C24H32N4O6S/c1-16(2)25-24(30)27-13-14-28(22(18(27)4)23(29)26-31)35(32,33)21-11-9-20(10-12-21)34-15-19-8-6-5-7-17(19)3/h5-12,16,18,22,31H,13-15H2,1-4H3,(H,25,30)(H,26,29)/t18-,22+/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	1.40E+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
Collagenase 3 (Homo sapiens (Human))	BDBM50132638 ((2S,3R)-2-Methyl-4-[4-(2-methyl-benzyloxy)-benzene...) Show SMILES CC(C)NC(=O)N1CCN([C@H]([C@@H]1C)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C24H32N4O6S/c1-16(2)25-24(30)27-13-14-28(22(18(27)4)23(29)26-31)35(32,33)21-11-9-20(10-12-21)34-15-19-8-6-5-7-17(19)3/h5-12,16,18,22,31H,13-15H2,1-4H3,(H,25,30)(H,26,29)/t18-,22+/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	4	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