Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50174518'   

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 12 (Homo sapiens (Human))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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 recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
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