Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM15227'   

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))	BDBM15227 (4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...) Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C35H44N4O20S/c1-16(40)49-14-26-28(52-18(3)42)30(53-19(4)43)33(56-22(7)46)35(58-26)59-29-27(15-50-17(2)41)57-34(32(55-21(6)45)31(29)54-20(5)44)51-13-23-12-39(38-37-23)24-8-10-25(11-9-24)60(36,47)48/h8-12,26-35H,13-15H2,1-7H3,(H2,36,47,48)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	-46.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					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 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
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