Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50515510'   

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))	BDBM50515510 (CHEMBL4547526) Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O Show InChI InChI=1S/C24H19N3O8S/c1-35-15-5-9-20(19(11-15)24(31)32)26-21(28)14-4-8-17-18(10-14)23(30)27(22(17)29)12-13-2-6-16(7-3-13)36(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	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 recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111573 BindingDB Entry DOI: 10.7270/Q2G1646X
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