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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 = 'BDBM50239067'   
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))
BDBM50239067
PNG
(CHEMBL4072529)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2N3O2/c1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...


Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50239067
PNG
(CHEMBL4072529)
Show SMILES COc1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2N3O2/c1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand


Bioorg Med Chem Lett 27: 2047-2057 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.044
BindingDB Entry DOI: 10.7270/Q25H7JCJ
More data for this
Ligand-Target Pair