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BDBM50153599 CHEMBL3775014

SMILES: CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1

InChI Key: InChIKey=NOQXGINUCHHZNK-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50153599   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50153599
PNG
(CHEMBL3775014)
Show SMILES CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
Show InChI InChI=1S/C25H24N4O2/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a>2.00E+4n/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 (RORC)


(Homo sapiens (Human))
BDBM50153599
PNG
(CHEMBL3775014)
Show SMILES CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
Show InChI InChI=1S/C25H24N4O2/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30)
PDB

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UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>2.00E+4n/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