Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50176361'   

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))	BDBM50176361 (CHEMBL3809698) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1 |c:24| Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 3043-3051 (2016) Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC
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