BDBM50300870 2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxylic acid::CHEMBL579203

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1

InChI Key: InChIKey=RKFNSQLVEUDBPY-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 = 50300870   

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
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX1				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair