Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50253842'   

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))	BDBM50253842 (CHEMBL4070963) Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=S)Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C16H15N5O3S2/c1-9-2-7-13-12(8-9)14(15(22)19-13)20-21-16(25)18-10-3-5-11(6-4-10)26(17,23)24/h2-8H,1H3,(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	62	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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