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BDBM160654 US9045483, 7

InChI string: InChI=1S/C27H24N4O3S/c1-2-3-18-31-25-23(28-21-16-10-11-17-22(21)29-25)24(35(33,34)20-14-8-5-9-15-20)26(31)30-27(32)19-12-6-4-7-13-19/h4-17H,2-3,18H2,1H3,(H,30,32)

SMILES: CCCCn1c(NC(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=FITWGNRMVRVCPA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 160654   
Target
(Institution)
LigandTarget
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


(Homo sapiens (Human))
BDBM160654
PNG
(US9045483, 7)
Show SMILES CCCCn1c(NC(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O3S/c1-2-3-18-31-25-23(28-21-16-10-11-17-22(21)29-25)24(35(33,34)20-14-8-5-9-15-20)26(31)30-27(32)19-12-6-4-7-13-19/h4-17H,2-3,18H2,1H3,(H,30,32)
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AffyNet 
US Patent
n/an/a 9.80E+4n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair