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BDBM339254 US10201546, Example 127b

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C

InChI Key: InChIKey=KIYYXCXJVBCDDW-XMMPIXPASA-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 = 339254   
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))
BDBM339254
PNG
(US10201546, Example 127b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C
Show InChI InChI=1S/C25H30ClF3N6O4S/c1-33-21(11-30-32-33)24(36,17-12-35(13-17)40(3,37)38)16-4-5-20-18(10-16)22(26)19(23(31-20)39-2)14-34-8-6-15(7-9-34)25(27,28)29/h4-5,10-11,15,17,36H,6-9,12-14H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/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))
BDBM339254
PNG
(US10201546, Example 127b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C
Show InChI InChI=1S/C25H30ClF3N6O4S/c1-33-21(11-30-32-33)24(36,17-12-35(13-17)40(3,37)38)16-4-5-20-18(10-16)22(26)19(23(31-20)39-2)14-34-8-6-15(7-9-34)25(27,28)29/h4-5,10-11,15,17,36H,6-9,12-14H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 10n/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