Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504747'   

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))	BDBM50504747 (CHEMBL4452122) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NNC(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN8O3S2/c17-9-1-3-10(4-2-9)20-16(29)23-22-14(26)13-21-15(18)25(24-13)11-5-7-12(8-6-11)30(19,27)28/h1-8H,(H,22,26)(H2,18,21,24)(H2,19,27,28)(H2,20,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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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