Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50303498'   

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))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
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