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SMILES: CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1

InChI Key: InChIKey=UVGNUQSLESLFEA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50044248   
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


(Homo sapiens (Human))
BDBM50044248
PNG
(CHEMBL3314035 | US9216988, 98)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H26Cl2FN3O3S/c1-16(30)27-9-11-28(12-10-27)19-6-5-17(23(26)13-19)15-29(18-3-2-4-18)33(31,32)20-7-8-21(24)22(25)14-20/h5-8,13-14,18H,2-4,9-12,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]25-hydroxycholesterol from RoRc-LBD (unknown origin)


J Med Chem 57: 5871-92 (2014)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50044248
PNG
(CHEMBL3314035 | US9216988, 98)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H26Cl2FN3O3S/c1-16(30)27-9-11-28(12-10-27)19-6-5-17(23(26)13-19)15-29(18-3-2-4-18)33(31,32)20-7-8-21(24)22(25)14-20/h5-8,13-14,18H,2-4,9-12,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 7n/an/an/an/a7.4n/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...


US Patent US9216988 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15QC
More data for this
Ligand-Target Pair