Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50116365'   

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))	BDBM50116365 (CHEMBL3604512) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
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