Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50079042'   

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 1 (Homo sapiens (Human))	BDBM50079042 (3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1 Show InChI InChI=1S/C12H10N6O5S2/c13-25(22,23)12-17-16-11(24-12)15-7(19)3-5-18-9(20)6-2-1-4-14-8(6)10(18)21/h1-2,4H,3,5H2,(H2,13,22,23)(H,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
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