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SMILES: NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CCc2cccc(Cl)c2)cs1

InChI Key: InChIKey=DECWMDULWYABTJ-POAQFYNOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 462819   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))		BDBM462819
PNG
(US10780090, Compound I-146 | [(1R,2S,4R)-4-{[5-({4...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CCc2cccc(Cl)c2)cs1
Show InChI InChI=1S/C23H25ClN4O5S2/c24-17-3-1-2-14(6-17)4-5-15-7-21(34-12-15)22(30)19-10-26-13-27-23(19)28-18-8-16(20(29)9-18)11-33-35(25,31)32/h1-3,6-7,10,12-13,16,18,20,29H,4-5,8-9,11H2,(H2,25,31,32)(H,26,27,28)/t16-,18-,20+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...

US Patent US10780090 (2020)


BindingDB Entry DOI: 10.7270/Q29Z980S
More data for this
Ligand-Target Pair