null

SMILES: NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O

InChI Key: InChIKey=ARPLSDSBWULNBV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50326115   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50326115 (1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...) Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 45: 3656-61 (2010) Article DOI: 10.1016/j.ejmech.2010.05.011 BindingDB Entry DOI: 10.7270/Q2SF2WCP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50326115 (1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...) Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 45: 3656-61 (2010) Article DOI: 10.1016/j.ejmech.2010.05.011 BindingDB Entry DOI: 10.7270/Q2SF2WCP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50326115 (1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...) Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 45: 3656-61 (2010) Article DOI: 10.1016/j.ejmech.2010.05.011 BindingDB Entry DOI: 10.7270/Q2SF2WCP
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50326115 (1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...) Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 45: 3656-61 (2010) Article DOI: 10.1016/j.ejmech.2010.05.011 BindingDB Entry DOI: 10.7270/Q2SF2WCP
					More data for this Ligand-Target Pair