Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50253848'   

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))	BDBM50253848 (CHEMBL4061260) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C15H12ClN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
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