Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50253876'   

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))	BDBM50253876 (CHEMBL4064015) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1 Show InChI InChI=1S/C15H11Br2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	58	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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