Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50130750'   

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))	BDBM50130750 (CHEMBL3633382) Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8
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