Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM239161'   

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))	BDBM239161 (α-CA inhibitor, 9) Show SMILES CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC([C@@H](O)C(O)[C@@H]6O[C@@H]6OC[C@@H](O)[C@H](O)C6O[C@@H]6OC(O)[C@H](O)[C@H](O)C6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2C1 |r,c:12| Show InChI InChI=1S/C46H74O18/c1-41(2)16-21-20-8-9-24-43(4)12-11-26(44(5,19-47)23(43)10-13-46(24,7)45(20,6)15-14-42(21,3)25(49)17-41)60-40-35(30(53)29(52)33(61-40)36(56)57)63-39-34(27(50)22(48)18-59-39)62-38-32(55)28(51)31(54)37(58)64-38/h8,21-35,37-40,47-55,58H,9-19H2,1-7H3,(H,56,57)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30?,31-,32?,33?,34?,35+,37?,38-,39+,40-,42-,43+,44-,45-,46-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ege University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2
					More data for this Ligand-Target Pair