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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 = 'BDBM50536795'   
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))
BDBM50536795
PNG
(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1 |r|
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assay


Bioorg Med Chem Lett 26: 4455-4461 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.081
BindingDB Entry DOI: 10.7270/Q2GX4G3X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50536795
PNG
(CHEMBL4522912)
Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1 |r|
Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...


Bioorg Med Chem Lett 26: 4455-4461 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.081
BindingDB Entry DOI: 10.7270/Q2GX4G3X
More data for this
Ligand-Target Pair