Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM12143'   

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))	BDBM12143 (4-(N-(4-phenoxyphenyl)aminocarbonyl-hydrazinocarbo...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H18N4O5S/c21-30(27,28)18-12-6-14(7-13-18)19(25)23-24-20(26)22-15-8-10-17(11-9-15)29-16-4-2-1-3-5-16/h1-13H,(H,23,25)(H2,21,27,28)(H2,22,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 48: 2121-5 (2005) Article DOI: 10.1021/jm0494826 BindingDB Entry DOI: 10.7270/Q25X275C
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