Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50515516'   

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))	BDBM50515516 (CHEMBL4449914) Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O Show InChI InChI=1S/C23H17N3O8S/c1-34-14-5-9-19(18(11-14)23(30)31)25-20(27)12-2-8-16-17(10-12)22(29)26(21(16)28)13-3-6-15(7-4-13)35(24,32)33/h2-11H,1H3,(H,25,27)(H,30,31)(H2,24,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	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
					More data for this Ligand-Target Pair