BDBM50152937 1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-piperidine-3-carboxylic acid hydroxyamide::CHEMBL185521

SMILES: CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO

InChI Key: InChIKey=IFZNBBFLMYGGPO-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 = 50152937   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(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))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(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))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(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
Collagenase 3 (Homo sapiens (Human))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(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	>5.00E+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-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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(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	>1.00E+3	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))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<11	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