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BDBM339279 US10201546, Example 137

SMILES: COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C

InChI Key: InChIKey=PUMXJBBRBFUMQN-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 339279   
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


(Homo sapiens (Human))
BDBM339279
PNG
(US10201546, Example 137)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C21H20ClF3N6O2/c1-11-26-9-16(30(11)2)21(32,17-10-27-29-31(17)3)12-5-6-15-13(7-12)18(22)14(8-20(23,24)25)19(28-15)33-4/h5-7,9-10,32H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339279
PNG
(US10201546, Example 137)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C21H20ClF3N6O2/c1-11-26-9-16(30(11)2)21(32,17-10-27-29-31(17)3)12-5-6-15-13(7-12)18(22)14(8-20(23,24)25)19(28-15)33-4/h5-7,9-10,32H,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 1.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair