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SMILES: CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1

InChI Key: InChIKey=WPVZONCHBLXUMN-UHFFFAOYSA-N

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 3 hits for monomerid = 221264   
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 [258-518]


(Homo sapiens (Human))
BDBM221264
PNG
(US9303015, 38)
Show SMILES CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N4O/c1-33-16-31-15-23(33)27(35,17-8-11-19(28)12-9-17)18-10-13-22-21(14-18)24(29)25(26(30)32-22)34(2)20-6-4-3-5-7-20/h3-16,35H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 35n/an/an/a7.01



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F]


(Homo sapiens (Human))
BDBM221264
PNG
(US9303015, 38)
Show SMILES CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N4O/c1-33-16-31-15-23(33)27(35,17-8-11-19(28)12-9-17)18-10-13-22-21(14-18)24(29)25(26(30)32-22)34(2)20-6-4-3-5-7-20/h3-16,35H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F]


(Homo sapiens (Human))
BDBM221264
PNG
(US9303015, 38)
Show SMILES CN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N4O/c1-33-16-31-15-23(33)27(35,17-8-11-19(28)12-9-17)18-10-13-22-21(14-18)24(29)25(26(30)32-22)34(2)20-6-4-3-5-7-20/h3-16,35H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...


US Patent US9303015 (2016)


BindingDB Entry DOI: 10.7270/Q29P30H5
More data for this
Ligand-Target Pair