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BDBM249513 US10072016, Compound 111::US10407433, Compound 111::US10913746, Compound 111::US9434727, 111::US9777010, Compound 111

SMILES: CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F

InChI Key: InChIKey=LXRKRDSCUQHHSE-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 249513   
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
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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US Patent
n/an/a 6.89n/an/an/an/a7.44



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US9434727 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BGR
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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n/an/a 22.1n/an/an/an/a7.54



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
TR-FRET assay for retinol-induced RBP4-TTR interaction Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR inte...


US Patent US9434727 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BGR
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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n/an/a 6.89n/an/an/an/a7.5n/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)


BindingDB Entry DOI: 10.7270/Q2QJ7KBT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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n/an/a 6.89n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10913746 (2021)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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n/an/a 6.89n/an/an/an/an/an/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US9777010 (2017)


BindingDB Entry DOI: 10.7270/Q22J6F0D
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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n/an/a 6.89n/an/an/an/an/an/a



The Trustees of Columbia University In The City of New York

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10407433 (2019)


BindingDB Entry DOI: 10.7270/Q2W95CKV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US10407433, Compound 11...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
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PC cid
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UniChem
US Patent
n/an/a 22.1n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)


BindingDB Entry DOI: 10.7270/Q2QJ7KBT
More data for this
Ligand-Target Pair