Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50337751'   

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))	BDBM50337751 (4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(=O)C2 |r| Show InChI InChI=1S/C18H26N2O5S2/c1-17(2)14-7-9-18(17,16(21)11-14)12-26(22,23)20-10-8-13-3-5-15(6-4-13)27(19,24)25/h3-6,14,20H,7-12H2,1-2H3,(H2,19,24,25)/t14?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 cytosolic isoform by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6
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