BDBM50106145 5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-amino}-3-methyl-benzamide::CHEMBL99745

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO

InChI Key: InChIKey=KSLUOGMHCJCRLQ-UHFFFAOYSA-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 = 50106145   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	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	108	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-1.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair