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BDBM302192 US9598415, 104

SMILES: CCn1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(C)ncnc1C1CC1

InChI Key: InChIKey=LUALGPLHGBRPGB-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302192   
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))
BDBM302192
PNG
(US9598415, 104)
Show SMILES CCn1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C24H26N8O3S/c1-4-32-23-18(12-27-21(31-23)19-14(3)28-13-29-20(19)15-6-7-15)30-22(24(32)33)26-10-16-8-9-17(11-25-16)36(34,35)5-2/h8-9,11-13,15H,4-7,10H2,1-3H3,(H,26,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/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