BDBM50132626 (2R,3S)-4-Acetyl-1-[4-(2-ethyl-benzyloxy)-benzenesulfonyl]-3-methyl-piperazine-2-carboxylic acid hydroxyamide::CHEMBL109775

SMILES: CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCN([C@@H](C)[C@@H]1C(=O)NO)C(C)=O

InChI Key: InChIKey=DODLQVHRMPIMNB-KSFYIVLOSA-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 = 50132626   

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))	BDBM50132626 ((2R,3S)-4-Acetyl-1-[4-(2-ethyl-benzyloxy)-benzenes...) Show SMILES CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCN([C@@H](C)[C@@H]1C(=O)NO)C(C)=O Show InChI InChI=1S/C23H29N3O6S/c1-4-18-7-5-6-8-19(18)15-32-20-9-11-21(12-10-20)33(30,31)26-14-13-25(17(3)27)16(2)22(26)23(28)24-29/h5-12,16,22,29H,4,13-15H2,1-3H3,(H,24,28)/t16-,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	6.70E+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))	BDBM50132626 ((2R,3S)-4-Acetyl-1-[4-(2-ethyl-benzyloxy)-benzenes...) Show SMILES CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCN([C@@H](C)[C@@H]1C(=O)NO)C(C)=O Show InChI InChI=1S/C23H29N3O6S/c1-4-18-7-5-6-8-19(18)15-32-20-9-11-21(12-10-20)33(30,31)26-14-13-25(17(3)27)16(2)22(26)23(28)24-29/h5-12,16,22,29H,4,13-15H2,1-3H3,(H,24,28)/t16-,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	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 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))	BDBM50132626 ((2R,3S)-4-Acetyl-1-[4-(2-ethyl-benzyloxy)-benzenes...) Show SMILES CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCN([C@@H](C)[C@@H]1C(=O)NO)C(C)=O Show InChI InChI=1S/C23H29N3O6S/c1-4-18-7-5-6-8-19(18)15-32-20-9-11-21(12-10-20)33(30,31)26-14-13-25(17(3)27)16(2)22(26)23(28)24-29/h5-12,16,22,29H,4,13-15H2,1-3H3,(H,24,28)/t16-,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	600	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
Collagenase 3 (Homo sapiens (Human))	BDBM50132626 ((2R,3S)-4-Acetyl-1-[4-(2-ethyl-benzyloxy)-benzenes...) Show SMILES CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCN([C@@H](C)[C@@H]1C(=O)NO)C(C)=O Show InChI InChI=1S/C23H29N3O6S/c1-4-18-7-5-6-8-19(18)15-32-20-9-11-21(12-10-20)33(30,31)26-14-13-25(17(3)27)16(2)22(26)23(28)24-29/h5-12,16,22,29H,4,13-15H2,1-3H3,(H,24,28)/t16-,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	40	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