Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50298204'   

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))	BDBM50298204 (6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1 Show InChI InChI=1S/C22H29IN6O7S2/c23-15-9-7-14(8-10-15)4-3-6-17(30)25-13-2-1-5-16(20(33)34)26-18(31)11-12-19(32)27-21-28-29-22(37-21)38(24,35)36/h7-10,16H,1-6,11-13H2,(H,25,30)(H,26,31)(H,33,34)(H2,24,35,36)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate in presence of murine serum albumin by colorimetry				Bioorg Med Chem Lett 19: 4851-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.022 BindingDB Entry DOI: 10.7270/Q298871J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50298204 (6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1 Show InChI InChI=1S/C22H29IN6O7S2/c23-15-9-7-14(8-10-15)4-3-6-17(30)25-13-2-1-5-16(20(33)34)26-18(31)11-12-19(32)27-21-28-29-22(37-21)38(24,35)36/h7-10,16H,1-6,11-13H2,(H,25,30)(H,26,31)(H,33,34)(H2,24,35,36)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate by colorimetry				Bioorg Med Chem Lett 19: 4851-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.022 BindingDB Entry DOI: 10.7270/Q298871J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50298204 (6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1 Show InChI InChI=1S/C22H29IN6O7S2/c23-15-9-7-14(8-10-15)4-3-6-17(30)25-13-2-1-5-16(20(33)34)26-18(31)11-12-19(32)27-21-28-29-22(37-21)38(24,35)36/h7-10,16H,1-6,11-13H2,(H,25,30)(H,26,31)(H,33,34)(H2,24,35,36)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity to human CA9 catalytic domain by isothermal titration calorimetry				Bioorg Med Chem Lett 19: 4851-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.022 BindingDB Entry DOI: 10.7270/Q298871J
					More data for this Ligand-Target Pair