Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50496544'   

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))	BDBM50496544 (CHEMBL3126807) Show SMILES NNC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN5O3S/c17-11-3-1-10(2-4-11)15-14(16(23)20-18)9-22(21-15)12-5-7-13(8-6-12)26(19,24)25/h1-9H,18H2,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01
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