Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50167355'   

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))	BDBM50167355 (CHEMBL189526 | {4-Chloro-6-[2-(4-sulfamoyl-phenyl)...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15ClN6O4S/c14-11-18-12(20-13(19-11)17-7-10(21)22)16-6-5-8-1-3-9(4-2-8)25(15,23)24/h1-4H,5-7H2,(H,21,22)(H2,15,23,24)(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 3102-8 (2005) Article DOI: 10.1016/j.bmcl.2005.04.056 BindingDB Entry DOI: 10.7270/Q2NP256X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167355 (CHEMBL189526 | {4-Chloro-6-[2-(4-sulfamoyl-phenyl)...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15ClN6O4S/c14-11-18-12(20-13(19-11)17-7-10(21)22)16-6-5-8-1-3-9(4-2-8)25(15,23)24/h1-4H,5-7H2,(H,21,22)(H2,15,23,24)(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair