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BDBM302244 US9598415, 156

SMILES: CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(CC(C)C)c2=O)-c2c(C)ncnc2C2CC2)cn1

InChI Key: InChIKey=NOCQWPXBZDIDHI-UHFFFAOYSA-N

Data: 1 IC50

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   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 = 302244   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM302244
PNG
(US9598415, 156)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(CC(C)C)c2=O)-c2c(C)ncnc2C2CC2)cn1
Show InChI InChI=1S/C26H30N8O3S/c1-5-38(36,37)20-9-6-17(10-27-20)11-28-24-26(35)34(13-15(2)3)25-19(32-24)12-29-23(33-25)21-16(4)30-14-31-22(21)18-7-8-18/h6,9-10,12,14-15,18H,5,7-8,11,13H2,1-4H3,(H,28,32)
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US Patent
n/an/a 275n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ63MW
More data for this
Ligand-Target Pair