Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50259323'   

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 1 (Homo sapiens (Human))	BDBM50259323 (1-(3-Aminophenyl)-4-benzoyl-5-phenyl-N-(5-sulfamoy...) Show SMILES Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C25H19N7O4S2/c26-17-12-7-13-18(14-17)32-21(15-8-3-1-4-9-15)19(22(33)16-10-5-2-6-11-16)20(31-32)23(34)28-24-29-30-25(37-24)38(27,35)36/h1-14H,26H2,(H2,27,35,36)(H,28,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259323 (1-(3-Aminophenyl)-4-benzoyl-5-phenyl-N-(5-sulfamoy...) Show SMILES Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C25H19N7O4S2/c26-17-12-7-13-18(14-17)32-21(15-8-3-1-4-9-15)19(22(33)16-10-5-2-6-11-16)20(31-32)23(34)28-24-29-30-25(37-24)38(27,35)36/h1-14H,26H2,(H2,27,35,36)(H,28,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259323 (1-(3-Aminophenyl)-4-benzoyl-5-phenyl-N-(5-sulfamoy...) Show SMILES Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C25H19N7O4S2/c26-17-12-7-13-18(14-17)32-21(15-8-3-1-4-9-15)19(22(33)16-10-5-2-6-11-16)20(31-32)23(34)28-24-29-30-25(37-24)38(27,35)36/h1-14H,26H2,(H2,27,35,36)(H,28,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair