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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 = 'BDBM50203493'   
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))
BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50203493
PNG
(CHEMBL3912204)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(C)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20ClN3O4/c1-14-5-4-6-19(25)21(14)32-22-18-13-16(23(29)27(2)3)9-12-20(18)28(26-22)17-10-7-15(8-11-17)24(30)31/h4-13H,1-3H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL-17A release after 4 days by HTRF assay


Bioorg Med Chem Lett 26: 5802-5808 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.023
BindingDB Entry DOI: 10.7270/Q2D79DDH
More data for this
Ligand-Target Pair