Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50237372'   

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))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
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