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SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1

InChI Key:

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 = 302860   
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))
BDBM302860
PNG
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
16.6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent




US Patent US9598431 (2017)


Article DOI: 10.1021/jm020951i
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM302860
PNG
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>1.25E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent




US Patent US9598431 (2017)


Article DOI: 10.1021/jm020951i
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM302860
PNG
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>2.04E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent




US Patent US9598431 (2017)


Article DOI: 10.1021/jm020951i
More data for this
Ligand-Target Pair