Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50515511'   

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))	BDBM50515511 (CHEMBL4466506) Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O Show InChI InChI=1S/C25H21N3O8S/c1-36-16-5-9-21(20(13-16)25(32)33)27-22(29)15-4-8-18-19(12-15)24(31)28(23(18)30)11-10-14-2-6-17(7-3-14)37(26,34)35/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,32,33)(H2,26,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	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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