Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50174520'   

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))	BDBM50174520 (CHEMBL3809267) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
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