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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 = 'BDBM50153622'   
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


(Mus musculus)
BDBM50153622
PNG
(CHEMBL3775712)
Show SMILES CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)(C)C
Show InChI InChI=1S/C23H30N4O/c1-5-27-20(25-26-21(27)15-16-23(2,3)4)13-14-22(28)24-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,5,13-16H2,1-4H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 830n/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase re...


ACS Med Chem Lett 7: 23-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00253
BindingDB Entry DOI: 10.7270/Q2N58P7P
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50153622
PNG
(CHEMBL3775712)
Show SMILES CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)(C)C
Show InChI InChI=1S/C23H30N4O/c1-5-27-20(25-26-21(27)15-16-23(2,3)4)13-14-22(28)24-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,5,13-16H2,1-4H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.70E+3n/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 lucifera...


ACS Med Chem Lett 7: 23-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00253
BindingDB Entry DOI: 10.7270/Q2N58P7P
More data for this
Ligand-Target Pair