Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50532433'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50532433 (CHEMBL4584482) Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616 BindingDB Entry DOI: 10.7270/Q2TQ6513
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50532433 (CHEMBL4584482) Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616 BindingDB Entry DOI: 10.7270/Q2TQ6513
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50532433 (CHEMBL4584482) Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 in human HT-29 cells assessed as reduction in cell viability in presence of CoCl2-induced hypoxic conditions after...				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616 BindingDB Entry DOI: 10.7270/Q2TQ6513
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50532433 (CHEMBL4584482) Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 in human HT-29 cells assessed as reduction in cell viability in presence of CoCl2-induced hypoxic conditions after...				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616 BindingDB Entry DOI: 10.7270/Q2TQ6513
					More data for this Ligand-Target Pair