Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50171186'   

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 2 (Homo sapiens (Human))	BDBM50171186 (CHEMBL3805080) Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H22N6O4S2/c1-18-6-8-19(9-7-18)27-21(16-35(34-27)22-10-12-23(13-11-22)41(30,37)38)15-31-33-29-32-25(17-40-29)24-14-20-4-2-3-5-26(20)39-28(24)36/h2-17H,1H3,(H,32,33)(H2,30,37,38)/b31-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
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