Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50261570'   

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))	BDBM50261570 (CHEMBL4071193) Show SMILES [H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(nc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H35N3O6S/c1-29-13-12-21-20-8-6-19(33)15-17(20)4-7-22(21)23(29)9-10-25(29)38-28(35)24-3-2-14-32(24)27(34)18-5-11-26(31-16-18)39(30,36)37/h5-6,8,11,15-16,21-25,33H,2-4,7,9-10,12-14H2,1H3,(H2,30,36,37)/t21-,22-,23+,24+,25+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com. Curated by ChEMBL					Assay Description Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins...				Bioorg Med Chem 25: 5569-5575 (2017) Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43
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