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BDBM339385 US10201546, Example 225c

SMILES: COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F

InChI Key: InChIKey=IOUIBNXFRQXFLO-JOCHJYFZSA-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 = 339385   
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))
BDBM339385
PNG
(US10201546, Example 225c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17ClF6N4O2/c1-34-11-31-10-18(34)22(35,13-5-6-32-17(8-13)23(28,29)30)12-3-4-16-14(7-12)19(24)15(9-21(25,26)27)20(33-16)36-2/h3-8,10-11,35H,9H2,1-2H3/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339385
PNG
(US10201546, Example 225c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17ClF6N4O2/c1-34-11-31-10-18(34)22(35,13-5-6-32-17(8-13)23(28,29)30)12-3-4-16-14(7-12)19(24)15(9-21(25,26)27)20(33-16)36-2/h3-8,10-11,35H,9H2,1-2H3/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2n/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)

More data for this
Ligand-Target Pair