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BDBM302259 US9598415, 171

SMILES: CC(C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(=O)(=O)CC#N)c1=O)-c1c(C)ncnc1C1CC1

InChI Key: InChIKey=FCWTVUOQURLDLL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302259   
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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM302259
PNG
(US9598415, 171)
Show SMILES CC(C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(=O)(=O)CC#N)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C26H26N8O3S/c1-15(2)34-25-20(13-29-23(33-25)21-16(3)30-14-31-22(21)18-6-7-18)32-24(26(34)35)28-12-17-4-8-19(9-5-17)38(36,37)11-10-27/h4-5,8-9,13-15,18H,6-7,11-12H2,1-3H3,(H,28,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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