Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50022104'   

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))	BDBM50022104 (CHEMBL3298840) Show SMILES CC(=O)N1C(=O)\C(=N/n2cnc3n(cc(-c4ccc(Br)cc4)c3c2=N)-c2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C28H20BrN7O4S/c1-16(37)36-23-5-3-2-4-21(23)25(28(36)38)33-35-15-32-27-24(26(35)30)22(17-6-8-18(29)9-7-17)14-34(27)19-10-12-20(13-11-19)41(31,39)40/h2-15,30H,1H3,(H2,31,39,40)/b30-26?,33-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 3684-95 (2014) Article DOI: 10.1016/j.bmc.2014.05.009 BindingDB Entry DOI: 10.7270/Q2N87CBZ
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