Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'SUMO-activating enzyme subunit 1' and Ligand = 'BDBM50427033'   

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
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM50427033 (CHEMBL2322195 | Kerriamycin B) Show SMILES C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O)[C@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)O3)c(O)c2C1=O |r,c:21,23| Show InChI InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(47)16-41(5,52)17-42(43,53)13-12-24-35(43)39(51)23-7-6-22(37(49)34(23)38(24)50)29-14-27(46)40(21(4)54-29)59-31-11-9-28(19(2)56-31)58-33-15-26(45)36(48)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36,40,44-46,48-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27+,28-,29+,31-,32-,33-,36+,40+,41-,42-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2 by immunoblotting analysis				J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT
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