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BDBM339372 US10201546, Example 217c

SMILES: COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F

InChI Key: InChIKey=AELUDEDJORJIHJ-XMMPIXPASA-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 = 339372   
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))
BDBM339372
PNG
(US10201546, Example 217c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF3N4O3/c1-33-13-30-11-20(33)24(34,16-7-8-31-19(10-16)25(27,28)29)15-5-6-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14/h5-11,13-14,34H,3-4,12H2,1-2H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 26n/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))
BDBM339372
PNG
(US10201546, Example 217c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF3N4O3/c1-33-13-30-11-20(33)24(34,16-7-8-31-19(10-16)25(27,28)29)15-5-6-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14/h5-11,13-14,34H,3-4,12H2,1-2H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 9.60n/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