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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: InChIKey=ILXLMNLDODDHOQ-ROUUACIJSA-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 = 302859   
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))
BDBM302859
PNG
((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
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,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.24n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...


US Patent US9598431 (2017)


BindingDB Entry DOI: 10.7270/Q26112BH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM302859
PNG
((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
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,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

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



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...


US Patent US9598431 (2017)


BindingDB Entry DOI: 10.7270/Q26112BH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM302859
PNG
((5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]met...)
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,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...


US Patent US9598431 (2017)


BindingDB Entry DOI: 10.7270/Q26112BH
More data for this
Ligand-Target Pair