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BDBM363751 US9855229, Compound 5

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C#CC(C)(C)Oc2ccc(Cl)c(F)c2)cc1

InChI Key: InChIKey=OPWBWHCCDNPPTA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 363751   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM363751
PNG
(US9855229, Compound 5)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C#CC(C)(C)Oc2ccc(Cl)c(F)c2)cc1
Show InChI InChI=1S/C27H25ClFNO4S/c1-4-35(32,33)23-12-7-20(8-13-23)17-26(31)30-21-9-5-19(6-10-21)15-16-27(2,3)34-22-11-14-24(28)25(29)18-22/h5-14,18H,4,17H2,1-3H3,(H,30,31)
PDB

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PC cid
PC sid
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US Patent
n/an/a 17.4n/an/an/an/an/an/a



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...


US Patent US9855229 (2018)


BindingDB Entry DOI: 10.7270/Q20867MM
More data for this
Ligand-Target Pair