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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 = 'BDBM50153653'   
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)
BDBM50153653
PNG
(CHEMBL3775443)
Show SMILES Cc1ccc(NC(=O)CCc2nnc(CCCC(C)(C)C)n2C2CC2)c(C)c1
Show InChI InChI=1S/C23H34N4O/c1-16-8-11-19(17(2)15-16)24-22(28)13-12-21-26-25-20(27(21)18-9-10-18)7-6-14-23(3,4)5/h8,11,15,18H,6-7,9-10,12-14H2,1-5H3,(H,24,28)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/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))
BDBM50153653
PNG
(CHEMBL3775443)
Show SMILES Cc1ccc(NC(=O)CCc2nnc(CCCC(C)(C)C)n2C2CC2)c(C)c1
Show InChI InChI=1S/C23H34N4O/c1-16-8-11-19(17(2)15-16)24-22(28)13-12-21-26-25-20(27(21)18-9-10-18)7-6-14-23(3,4)5/h8,11,15,18H,6-7,9-10,12-14H2,1-5H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.80E+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