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BDBM339331 US10201546, Example 192c

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N

InChI Key: InChIKey=AWLDWNSGSDDBMP-NDEPHWFRSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 339331   
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))
BDBM339331
PNG
(US10201546, Example 192c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 22n/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))
BDBM339331
PNG
(US10201546, Example 192c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 4n/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