BDBM50152909 1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-piperidine-4-carboxylic acid hydroxyamide::CHEMBL185159

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=PGTJOSSSBWAALE-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50152909   

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))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13 (MMP-13)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description inhibition of Matrix metalloprotease-2 (MMP-2)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effect on TNF-Alpha release in LPS-stimulated human whole blood assay				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
ADAM17 (Sus scrofa (pig))	BDBM50152909 (1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair