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Compile Data Set for Download or QSAR

Found 717 hits Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026260
PNG
(CHEMBL3359024)
Show SMILES OC(=O)c1cnncc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C20H19F3N4O3/c21-20(22,23)16-4-2-1-3-14(16)11-5-12-9-27(10-13(12)6-11)19(30)26-17-8-25-24-7-15(17)18(28)29/h1-4,7-8,11-13H,5-6,9-10H2,(H,28,29)(H,24,26,30)/t11-,12-,13+
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n/an/a 0.121n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50019040
PNG
(CHEMBL1230001)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
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n/an/a 0.155n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
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US Patent
n/an/a<0.169n/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...


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


(Homo sapiens (Human))
BDBM50026258
PNG
(CHEMBL3359022)
Show SMILES OC(=O)c1cnccc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+
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n/an/a 0.179n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026259
PNG
(CHEMBL3359023)
Show SMILES Cc1cc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2C(F)(F)F)c(cn1)C(O)=O
Show InChI InChI=1/C22H22F3N3O3/c1-12-6-19(17(9-26-12)20(29)30)27-21(31)28-10-14-7-13(8-15(14)11-28)16-4-2-3-5-18(16)22(23,24)25/h2-6,9,13-15H,7-8,10-11H2,1H3,(H,29,30)(H,26,27,31)/t13-,14-,15+
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n/an/a 0.235n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026255
PNG
(CHEMBL3359017)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C22H20F4N2O3/c23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26/h1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30)/t12-,13-,14+
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n/an/a 0.285n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026253
PNG
(CHEMBL3359014)
Show SMILES OC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C22H21F3N2O3/c23-22(24,25)18-7-3-1-5-16(18)13-9-14-11-27(12-15(14)10-13)21(30)26-19-8-4-2-6-17(19)20(28)29/h1-8,13-15H,9-12H2,(H,26,30)(H,28,29)/t13-,14-,15+
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n/an/a 0.294n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026256
PNG
(CHEMBL3359019)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C22H20ClF3N2O3/c23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26/h1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30)/t12-,13-,14+
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n/an/a 0.340n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026254
PNG
(CHEMBL3359015)
Show SMILES OC(=O)c1ccccc1NC(=O)N1C[C@H]2CC(=C[C@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C22H19F3N2O3/c23-22(24,25)18-7-3-1-5-16(18)13-9-14-11-27(12-15(14)10-13)21(30)26-19-8-4-2-6-17(19)20(28)29/h1-9,14-15H,10-12H2,(H,26,30)(H,28,29)/t14-,15+/s2
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n/an/a 0.481n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026251
PNG
(CHEMBL3359005)
Show SMILES CN(CCOc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H26N2O4/c1-21(2,3)16-10-6-8-12-18(16)27-14-13-23(4)20(26)22-17-11-7-5-9-15(17)19(24)25/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,25)
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n/an/a 0.554n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50026244
PNG
(CHEMBL3359028)
Show SMILES OC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1/C23H23F3N2O3/c24-23(25,26)19-9-5-4-8-18(19)15-10-16-12-28(13-17(16)11-15)22(31)27-20(21(29)30)14-6-2-1-3-7-14/h1-9,15-17,20H,10-13H2,(H,27,31)(H,29,30)/t15-,16-,17+,20-/s2
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n/an/a 0.829n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
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n/an/a<1.37n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83 | US977701...)
Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)
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n/an/a<1.37n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
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n/an/a<1.37n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249469
PNG
(US10072016, Compound 68 | US9434727, 68 | US977701...)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)
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n/an/a<1.37n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM249469
PNG
(US10072016, Compound 68 | US9434727, 68 | US977701...)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)
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n/an/a<1.37n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83 | US977701...)
Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)
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n/an/a<1.37n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
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n/an/a<1.37n/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...


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


(Homo sapiens (Human))
BDBM249469
PNG
(US10072016, Compound 68 | US9434727, 68 | US977701...)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)
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n/an/a<1.37n/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...


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


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83 | US977701...)
Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)
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n/an/a<1.37n/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...


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


(Homo sapiens (Human))
BDBM50026257
PNG
(CHEMBL3359020)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@@H](C[C@@H]3C2)c2ccccc2C(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1/C23H23F3N2O5S/c1-34(32,33)16-6-7-20(18(10-16)21(29)30)27-22(31)28-11-14-8-13(9-15(14)12-28)17-4-2-3-5-19(17)23(24,25)26/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,27,31)(H,29,30)/t13-,14-,15+
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n/an/a 1.60n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM249479
PNG
(US9434727, 77)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H19F4N5O/c21-15-3-1-2-13(17(15)20(22,23)24)12-4-8-29(9-5-12)19(30)18-14-6-7-28(11-25)10-16(14)26-27-18/h1-3,12H,4-10H2,(H,26,27)
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n/an/a 1.62n/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...


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


(Homo sapiens (Human))
BDBM50026250
PNG
(CHEMBL3358470)
Show SMILES CN(CCOc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H17F3N2O4/c1-23(17(26)22-14-8-4-2-6-12(14)16(24)25)10-11-27-15-9-5-3-7-13(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,26)(H,24,25)
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n/an/a 2.70n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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n/an/a 2.82n/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...


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


(Homo sapiens (Human))
BDBM249479
PNG
(US9434727, 77)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H19F4N5O/c21-15-3-1-2-13(17(15)20(22,23)24)12-4-8-29(9-5-12)19(30)18-14-6-7-28(11-25)10-16(14)26-27-18/h1-3,12H,4-10H2,(H,26,27)
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n/an/a 2.88n/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...


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


(Homo sapiens (Human))
BDBM249474
PNG
(US10072016, Compound 77 | US9434727, 73 | US943472...)
Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
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n/an/a 2.88n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249474
PNG
(US10072016, Compound 77 | US9434727, 73 | US943472...)
Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
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n/an/a 2.88n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM50019064
PNG
(CHEMBL3288340)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nccs1
Show InChI InChI=1S/C16H15F3N2OS/c17-16(18,19)13-4-2-1-3-12(13)11-5-8-21(9-6-11)15(22)14-20-7-10-23-14/h1-4,7,10-11H,5-6,8-9H2
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RBP4-transthyretin interaction by FRET analysis


Bioorg Med Chem Lett 24: 2885-91 (2014)

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


(Homo sapiens (Human))
BDBM249554
PNG
(US10072016, Compound 152 | US9434727, 152 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl
Show InChI InChI=1S/C19H15ClFN5O/c20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18/h1-5,11,13H,6-9H2
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n/an/a 3.10n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM50026249
PNG
(CHEMBL3358466)
Show SMILES OC(=O)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C14H14F3NO3/c15-14(16,17)11-4-2-1-3-10(11)9-5-7-18(8-6-9)12(19)13(20)21/h1-4,9H,5-8H2,(H,20,21)
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n/an/a 3.10n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249554
PNG
(US10072016, Compound 152 | US9434727, 152 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl
Show InChI InChI=1S/C19H15ClFN5O/c20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18/h1-5,11,13H,6-9H2
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n/an/a 3.10n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM249554
PNG
(US10072016, Compound 152 | US9434727, 152 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl
Show InChI InChI=1S/C19H15ClFN5O/c20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18/h1-5,11,13H,6-9H2
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n/an/a 3.10n/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...


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


(Homo sapiens (Human))
BDBM50104147
PNG
(CHEMBL3593524)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(N)=O
Show InChI InChI=1/C20H21F3N4O/c1-11-6-17(18(24)28)26-19(25-11)27-9-13-7-12(8-14(13)10-27)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H2,24,28)/t12-,13-,14+
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n/an/a 3.30n/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM249522
PNG
(US10072016, Compound 120 | US9434727, 120 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F
Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
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n/an/a 3.45n/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...


Citation and Details
More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249522
PNG
(US10072016, Compound 120 | US9434727, 120 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F
Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
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n/an/a 3.45n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM249522
PNG
(US10072016, Compound 120 | US9434727, 120 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F
Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
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n/an/a 3.45n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM135825
PNG
(US8853215, 3)
Show SMILES CC(C)(C)c1ccccc1N1CCN(CC1)C(=O)c1c[nH]cn1
Show InChI InChI=1S/C18H24N4O/c1-18(2,3)14-6-4-5-7-16(14)21-8-10-22(11-9-21)17(23)15-12-19-13-20-15/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
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n/an/a 3.80n/an/an/an/a7.54



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Streptavidin (20 ul) (10 ug/ml Streptavidin type II (Wako Pure Chemical Industries, Ltd.), 10 mM Tris-HCl (pH 7.5), 10 mM NaCl) was added to a 384 we...


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


(Homo sapiens (Human))
BDBM50104159
PNG
(CHEMBL3594229)
Show SMILES COC(=O)c1cc(C)nc(n1)N1C[C@H]2CN(C[C@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C20H21F3N4O2/c1-12-7-16(18(28)29-2)25-19(24-12)27-10-13-8-26(9-14(13)11-27)17-6-4-3-5-15(17)20(21,22)23/h3-7,13-14H,8-11H2,1-2H3/t13-,14+
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n/an/a 3.90n/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50026248
PNG
(CHEMBL3358465)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H24F3N3O4S/c27-26(28,29)22-12-6-4-10-20(22)18-14-16-32(17-15-18)25(34)30-23-13-7-5-11-21(23)24(33)31-37(35,36)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H,30,34)(H,31,33)
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n/an/a 3.90n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)

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


(Homo sapiens (Human))
BDBM50104179
PNG
(CHEMBL3594225)
Show SMILES COC(=O)c1cc(C)nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O2/c1-12-11-16(17(26)27-2)24-18(23-12)25-9-7-13(8-10-25)14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13H,7-10H2,1-2H3
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n/an/a 4.10n/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
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n/an/a 4.13n/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...


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


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
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n/an/a 4.13n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB
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n/an/a 4.13n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

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


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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US Patent
n/an/a 4.33n/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...


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


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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n/an/a 4.33n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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n/an/a 4.33n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

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


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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n/an/a 4.33n/an/an/an/a7.5n/a



Pfizer





J Med Chem 44: 1915-26 (2001)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
PDB
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n/an/a 4.33n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
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n/an/a 4.33n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

More data for this
Ligand-Target Pair
spa binding assay for rbp4


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
PDB
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n/an/a 4.33n/an/an/an/an/an/a



Pharmacia Corporation





J Med Chem 46: 4050-62 (2003)

More data for this
Ligand-Target Pair
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