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BDBM498080 1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulfonyl)benzyl]- 4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide::US11008336, Example 64

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1

InChI Key: InChIKey=FGGIUCGEJCQJDD-NRFANRHFSA-N

Data: 3 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 498080   
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))
BDBM498080
PNG
(1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1
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PC cid
PC sid
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US Patent
15.8n/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 US11008336 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM498080
PNG
(1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
3.27E+3n/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 US11008336 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM498080
PNG
(1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
>2.27E+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 US11008336 (2021)

More data for this
Ligand-Target Pair