Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50167414'   

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))	BDBM50167414 (CHEMBL274255 | sulfanilamide derivative) Show SMILES Cc1ccc2OC=C3CN(Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4Cc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:49,t:6| Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,11,18H,9-10H2,1H3,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
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