Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50248718'   

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 9 (Homo sapiens (Human))	BDBM50248718 (CHEMBL4075252) Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-16-5-3-4-13(22(16)36-2)6-11-18(30)27-19-21(32)20(31)17(12-29)37-23(19)28-24(38)26-14-7-9-15(10-8-14)39(25,33)34/h3-11,17,19-21,23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b11-6+/t17-,19-,20-,21-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
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