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BDBM302334 US9598415, 246

SMILES: COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(C)(=O)=O)c(=O)n(CC3CC3)c2n1

InChI Key: InChIKey=ZUZVLOMOCFWMBD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302334   
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))
BDBM302334
PNG
(US9598415, 246)
Show SMILES COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(C)(=O)=O)c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C25H26N8O4S/c1-37-24-19(20(15-5-6-15)29-13-30-24)21-28-11-18-23(32-21)33(12-14-3-4-14)25(34)22(31-18)27-9-16-7-8-17(10-26-16)38(2,35)36/h7-8,10-11,13-15H,3-6,9,12H2,1-2H3,(H,27,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 645n/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