Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50029082'   

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))	BDBM50029082 (CHEMBL3343276) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2c[nH]c3ccc(Br)cc23)cc1 Show InChI InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	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 CA-1 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair