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BDBM339244 US10201546, Example 122b

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CCOCC1)c1cnnn1C

InChI Key: InChIKey=KNDITTIGULOTRE-VWLOTQADSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 339244   
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))
BDBM339244
PNG
(US10201546, Example 122b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CCOCC1)c1cnnn1C
Show InChI InChI=1S/C26H31ClF3N5O3/c1-34-22(14-31-33-34)25(36,16-7-11-38-12-8-16)18-3-4-21-19(13-18)23(27)20(24(32-21)37-2)15-35-9-5-17(6-10-35)26(28,29)30/h3-4,13-14,16-17,36H,5-12,15H2,1-2H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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))
BDBM339244
PNG
(US10201546, Example 122b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CCOCC1)c1cnnn1C
Show InChI InChI=1S/C26H31ClF3N5O3/c1-34-22(14-31-33-34)25(36,16-7-11-38-12-8-16)18-3-4-21-19(13-18)23(27)20(24(32-21)37-2)15-35-9-5-17(6-10-35)26(28,29)30/h3-4,13-14,16-17,36H,5-12,15H2,1-2H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.800n/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