Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504777'   

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))	BDBM50504777 (CHEMBL4559106) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H15N7O4S/c17-16-20-14(15(25)21-19-9-10-1-5-12(24)6-2-10)22-23(16)11-3-7-13(8-4-11)28(18,26)27/h1-9,24H,(H,21,25)(H2,17,20,22)(H2,18,26,27)/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
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