Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50022100'   

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))	BDBM50022100 (CHEMBL3298354) Show SMILES CC1=CC(C)=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1 |c:4,7,35,t:1| Show InChI InChI=1S/C23H19BrN6O2S/c1-14-11-15(2)28-30-13-26-22-21(23(30)27-14)20(16-3-5-17(24)6-4-16)12-29(22)18-7-9-19(10-8-18)33(25,31)32/h3-13H,1-2H3,(H2,25,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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
					More data for this Ligand-Target Pair