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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 = 'BDBM50108885'   
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))
BDBM50108885
PNG
(CHEMBL3596602)
Show SMILES CCNC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C25H21Cl2FN2O2/c1-2-29-24(31)17-8-10-19(26)18(14-17)15-9-11-22-16(13-15)5-4-12-30(22)25(32)23-20(27)6-3-7-21(23)28/h3,6-11,13-14H,2,4-5,12H2,1H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...


Bioorg Med Chem Lett 25: 2991-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50108885
PNG
(CHEMBL3596602)
Show SMILES CCNC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C25H21Cl2FN2O2/c1-2-29-24(31)17-8-10-19(26)18(14-17)15-9-11-22-16(13-15)5-4-12-30(22)25(32)23-20(27)6-3-7-21(23)28/h3,6-11,13-14H,2,4-5,12H2,1H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at Gal4 DNA binding domain-tagged human RORgammat expressed in HEK293T cells assessed as effect on receptor-mediated transcr...


Bioorg Med Chem Lett 25: 2991-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.026
BindingDB Entry DOI: 10.7270/Q2ZP47XQ
More data for this
Ligand-Target Pair