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SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CC2)c(Cl)c1Cl

InChI Key: InChIKey=MFIDUDKMGGBKPL-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 392033   
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
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)


(Homo sapiens (Human))
BDBM392033
PNG
(US10301272, Example 6/31)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CC2)c(Cl)c1Cl
Show InChI InChI=1S/C24H31Cl2N3O3S2/c1-24(2,3)29-34(31,32)18-12-11-16(19(25)20(18)26)21-17(13-14-7-5-4-6-8-14)28-23(33-21)22(30)27-15-9-10-15/h11-12,14-15,29H,4-10,13H2,1-3H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50.1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...


J Med Chem 52: 1814-27 (2009)


BindingDB Entry DOI: 10.7270/Q2S184TJ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)


(Homo sapiens (Human))
BDBM392033
PNG
(US10301272, Example 6/31)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CC2)c(Cl)c1Cl
Show InChI InChI=1S/C24H31Cl2N3O3S2/c1-24(2,3)29-34(31,32)18-12-11-16(19(25)20(18)26)21-17(13-14-7-5-4-6-8-14)28-23(33-21)22(30)27-15-9-10-15/h11-12,14-15,29H,4-10,13H2,1-3H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...


J Med Chem 52: 1814-27 (2009)


BindingDB Entry DOI: 10.7270/Q2S184TJ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)


(Homo sapiens (Human))
BDBM392033
PNG
(US10301272, Example 6/31)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CC2)c(Cl)c1Cl
Show InChI InChI=1S/C24H31Cl2N3O3S2/c1-24(2,3)29-34(31,32)18-12-11-16(19(25)20(18)26)21-17(13-14-7-5-4-6-8-14)28-23(33-21)22(30)27-15-9-10-15/h11-12,14-15,29H,4-10,13H2,1-3H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...


J Med Chem 52: 1814-27 (2009)


BindingDB Entry DOI: 10.7270/Q2S184TJ
More data for this
Ligand-Target Pair