Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50526434'   

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))	BDBM50526434 (CHEMBL4587801) Show SMILES CN(C)c1nc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H21N9O5S2/c1-27(2)17-24-15(21-11-3-7-13(8-4-11)33(19,29)30)23-16(25-17)26-18(28)22-12-5-9-14(10-6-12)34(20,31)32/h3-10H,1-2H3,(H2,19,29,30)(H2,20,31,32)(H3,21,22,23,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adiyaman University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flo...				Bioorg Med Chem 27: 1588-1594 (2019) Article DOI: 10.1016/j.bmc.2019.03.001 BindingDB Entry DOI: 10.7270/Q20C5060
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