Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50346727'   

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))	BDBM50346727 (CHEMBL1797791) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H38BN5O6S3/c1-3-26(4-2)37-24(32)23(27)7-5-6-17-29-25(38)31-20-10-14-22(15-11-20)40(35,36)30-18-16-19-8-12-21(13-9-19)39(28,33)34/h8-15,23,30H,3-7,16-18,27H2,1-2H3,(H2,28,33,34)(H2,29,31,38)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
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