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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 = 'BDBM339345'   
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))
BDBM339345
PNG
(US10201546, Example 205c)
Show SMILES Cn1cncc1[C@](O)(c1ccnc(c1)C(F)(F)F)c1ccc2nc(C3CC3)c(CN3CCC(CC3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C30H28ClF6N5O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3/t28-/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
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339345
PNG
(US10201546, Example 205c)
Show SMILES Cn1cncc1[C@](O)(c1ccnc(c1)C(F)(F)F)c1ccc2nc(C3CC3)c(CN3CCC(CC3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C30H28ClF6N5O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.480n/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