Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50426828'   

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))	BDBM50426828 (CHEMBL2323135) Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
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