BDBM50132623 (2R,3S)-4-Acetyl-1-[4-(5-fluoro-2-methyl-benzyloxy)-benzenesulfonyl]-3-methyl-piperazine-2-carboxylic acid hydroxyamide::CHEMBL263054

SMILES: C[C@H]1[C@@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C)cc1)C(=O)NO

InChI Key: InChIKey=FTFANCIOHXJKDG-YCRPNKLZSA-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 = 50132623   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50132623 ((2R,3S)-4-Acetyl-1-[4-(5-fluoro-2-methyl-benzyloxy...) Show SMILES C[C@H]1[C@@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C)cc1)C(=O)NO Show InChI InChI=1S/C22H26FN3O6S/c1-14-4-5-18(23)12-17(14)13-32-19-6-8-20(9-7-19)33(30,31)26-11-10-25(16(3)27)15(2)21(26)22(28)24-29/h4-9,12,15,21,29H,10-11,13H2,1-3H3,(H,24,28)/t15-,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	1.90E+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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50132623 ((2R,3S)-4-Acetyl-1-[4-(5-fluoro-2-methyl-benzyloxy...) Show SMILES C[C@H]1[C@@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C)cc1)C(=O)NO Show InChI InChI=1S/C22H26FN3O6S/c1-14-4-5-18(23)12-17(14)13-32-19-6-8-20(9-7-19)33(30,31)26-11-10-25(16(3)27)15(2)21(26)22(28)24-29/h4-9,12,15,21,29H,10-11,13H2,1-3H3,(H,24,28)/t15-,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	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 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))	BDBM50132623 ((2R,3S)-4-Acetyl-1-[4-(5-fluoro-2-methyl-benzyloxy...) Show SMILES C[C@H]1[C@@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C)cc1)C(=O)NO Show InChI InChI=1S/C22H26FN3O6S/c1-14-4-5-18(23)12-17(14)13-32-19-6-8-20(9-7-19)33(30,31)26-11-10-25(16(3)27)15(2)21(26)22(28)24-29/h4-9,12,15,21,29H,10-11,13H2,1-3H3,(H,24,28)/t15-,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	7	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))	BDBM50132623 ((2R,3S)-4-Acetyl-1-[4-(5-fluoro-2-methyl-benzyloxy...) Show SMILES C[C@H]1[C@@H](N(CCN1C(C)=O)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C)cc1)C(=O)NO Show InChI InChI=1S/C22H26FN3O6S/c1-14-4-5-18(23)12-17(14)13-32-19-6-8-20(9-7-19)33(30,31)26-11-10-25(16(3)27)15(2)21(26)22(28)24-29/h4-9,12,15,21,29H,10-11,13H2,1-3H3,(H,24,28)/t15-,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	7	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