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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM339374'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339374
PNG
(US10201546, Example 218c)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F6N5O2/c1-35-12-32-11-20(35)23(36,14-5-6-33-19(8-14)24(28,29)30)13-3-4-18-15(7-13)17(10-31)16(9-22(25,26)27)21(34-18)37-2/h3-8,11-12,36H,9H2,1-2H3/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 18n/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
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339374
PNG
(US10201546, Example 218c)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F6N5O2/c1-35-12-32-11-20(35)23(36,14-5-6-33-19(8-14)24(28,29)30)13-3-4-18-15(7-13)17(10-31)16(9-22(25,26)27)21(34-18)37-2/h3-8,11-12,36H,9H2,1-2H3/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 3.20n/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
More data for this
Ligand-Target Pair