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BDBM50153650 CHEMBL3774648

SMILES: Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CC2(F)F)c(C)c1

InChI Key: InChIKey=LQYFWDFUXRXPEV-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 = 50153650   
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)
BDBM50153650
PNG
(CHEMBL3774648)
Show SMILES Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CC2(F)F)c(C)c1
Show InChI InChI=1S/C24H32F2N4O/c1-16-8-10-19(17(2)14-16)27-23(31)13-12-22-29-28-21(30(22)20-15-24(20,25)26)11-9-18-6-4-3-5-7-18/h8,10,14,18,20H,3-7,9,11-13,15H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 500n/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)


BindingDB Entry DOI: 10.7270/Q2N58P7P
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50153650
PNG
(CHEMBL3774648)
Show SMILES Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CC2(F)F)c(C)c1
Show InChI InChI=1S/C24H32F2N4O/c1-16-8-10-19(17(2)14-16)27-23(31)13-12-22-29-28-21(30(22)20-15-24(20,25)26)11-9-18-6-4-3-5-7-18/h8,10,14,18,20H,3-7,9,11-13,15H2,1-2H3,(H,27,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 920n/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)


BindingDB Entry DOI: 10.7270/Q2N58P7P
More data for this
Ligand-Target Pair