Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50019539'   

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))	BDBM50019539 (CHEMBL3291107) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C15H14Cl2N4O6S2/c1-8-2-4-9(5-3-8)29(26,27)21-15(23)20-19-14(22)10-6-13(28(18,24)25)12(17)7-11(10)16/h2-7H,1H3,(H,19,22)(H2,18,24,25)(H2,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair