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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 = 'BDBM339327'   
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))
BDBM339327
PNG
(US10201546, Example 190c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN(C)CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF6N5O2/c1-36(12-23(27,28)29)11-17-21(26)16-8-14(4-5-18(16)35-22(17)39-3)24(38,20-10-33-13-37(20)2)15-6-7-34-19(9-15)25(30,31)32/h4-10,13,38H,11-12H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 21n/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))
BDBM339327
PNG
(US10201546, Example 190c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN(C)CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF6N5O2/c1-36(12-23(27,28)29)11-17-21(26)16-8-14(4-5-18(16)35-22(17)39-3)24(38,20-10-33-13-37(20)2)15-6-7-34-19(9-15)25(30,31)32/h4-10,13,38H,11-12H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 1.20n/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
BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair