Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50107369'   

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 2 (Homo sapiens (Human))	BDBM50107369 (CHEMBL3601390) Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N
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