Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50022101'   

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))	BDBM50022101 (CHEMBL3298355) Show SMILES NC1=C(C=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1)C#N |c:3,6,34,t:1| Show InChI InChI=1S/C22H15BrN8O2S/c23-15-3-1-13(2-4-15)18-11-30(16-5-7-17(8-6-16)34(26,32)33)21-19(18)22-29-20(25)14(9-24)10-28-31(22)12-27-21/h1-8,10-12H,25H2,(H2,26,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 3684-95 (2014) Article DOI: 10.1016/j.bmc.2014.05.009 BindingDB Entry DOI: 10.7270/Q2N87CBZ
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