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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'pearson' and Initial = 'pg'   
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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US10407433, Compound 65 ...)
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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720n/an/an/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50501900
PNG
(CHEMBL4463039)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)16-4-2-1-3-15(16)14-7-9-27(10-8-14)19(29)18-26-25-17-6-5-13(11-24)12-28(17)18/h1-6,12,14H,7-10H2
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3.13E+3n/an/an/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026260
PNG
(CHEMBL3359024)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cnncc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026258
PNG
(CHEMBL3359022)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026259
PNG
(CHEMBL3359023)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cc(C)ncc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026255
PNG
(CHEMBL3359017)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(F)cc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026253
PNG
(CHEMBL3359014)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccccc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026256
PNG
(CHEMBL3359019)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(Cl)cc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026254
PNG
(CHEMBL3359015)
Show SMILES [H][C@@]12CN(C[C@]1([H])C=C(C2)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(O)=O |r,c:8|
Show InChI InChI=1S/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+/m0/s1
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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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026244
PNG
(CHEMBL3359028)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@H](C(O)=O)c1ccccc1)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026257
PNG
(CHEMBL3359020)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(cc1C(O)=O)S(C)(=O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501921
PNG
(CHEMBL4462481)
Show SMILES Cc1ccc2nc(cn2n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O/c1-13-6-7-18-24-17(12-27(18)25-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12,14H,8-11H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501925
PNG
(CHEMBL4472596)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(OCC)cn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O2/c1-2-32-17-7-8-20-27-28-21(30(20)13-17)22(31)29-11-15-9-14(10-16(15)12-29)18-5-3-4-6-19(18)23(24,25)26/h3-8,13-16H,2,9-12H2,1H3/t14-,15-,16+
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n/an/a 2.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50104147
PNG
(CHEMBL3593524)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(N)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/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


J Med Chem 58: 5863-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501914
PNG
(CHEMBL4546092)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C(F)(F)F)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H18F6N4O/c23-21(24,25)15-5-6-18-29-30-19(32(18)11-15)20(33)31-9-13-7-12(8-14(13)10-31)16-3-1-2-4-17(16)22(26,27)28/h1-6,11-14H,7-10H2/t12-,13-,14+
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n/an/a 3.40n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501899
PNG
(CHEMBL4469381)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)C1CC1
Show InChI InChI=1S/C22H21F3N4O/c23-22(24,25)17-4-2-1-3-16(17)14-9-11-28(12-10-14)21(30)19-13-29-20(26-19)8-7-18(27-29)15-5-6-15/h1-4,7-8,13-15H,5-6,9-12H2
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n/an/a 3.60n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501910
PNG
(CHEMBL4452483)
Show SMILES COc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1
Show InChI InChI=1S/C20H19F3N4O2/c1-29-14-6-7-17-24-25-18(27(17)12-14)19(28)26-10-8-13(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12-13H,8-11H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501929
PNG
(CHEMBL4532832)
Show SMILES Cn1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C21H20F3N3O/c1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24/h2-9,14H,10-13H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501911
PNG
(CHEMBL4468564)
Show SMILES FC(F)(F)c1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1
Show InChI InChI=1S/C20H16F6N4O/c21-19(22,23)13-5-6-16-27-28-17(30(16)11-13)18(31)29-9-7-12(8-10-29)14-3-1-2-4-15(14)20(24,25)26/h1-6,11-12H,7-10H2
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n/an/a 3.80n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50104159
PNG
(CHEMBL3594229 | US10787453, Compound 66)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(=O)OC |r|
Show InChI InChI=1S/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


J Med Chem 58: 5863-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F
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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501915
PNG
(CHEMBL4524379)
Show SMILES Cc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1
Show InChI InChI=1S/C20H19F3N4O/c1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12,14H,8-11H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501895
PNG
(CHEMBL4570619)
Show SMILES CCOc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1
Show InChI InChI=1S/C21H21F3N4O2/c1-2-30-15-7-8-18-25-26-19(28(18)13-15)20(29)27-11-9-14(10-12-27)16-5-3-4-6-17(16)21(22,23)24/h3-8,13-14H,2,9-12H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501932
PNG
(CHEMBL4457361)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(Cl)cn12
Show InChI InChI=1S/C19H16ClF3N4O/c20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2
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n/an/a 4n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501931
PNG
(CHEMBL4514302)
Show SMILES Fc1ccc2c(nn(C3COC3)c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H21F4N3O2/c24-15-5-6-18-20(11-15)30(16-12-32-13-16)28-21(18)22(31)29-9-7-14(8-10-29)17-3-1-2-4-19(17)23(25,26)27/h1-6,11,14,16H,7-10,12-13H2
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n/an/a 4.10n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
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


J Med Chem 58: 5863-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501933
PNG
(CHEMBL4559814)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(F)cn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O/c22-15-5-6-18-26-27-19(29(18)11-15)20(30)28-9-13-7-12(8-14(13)10-28)16-3-1-2-4-17(16)21(23,24)25/h1-6,11-14H,7-10H2/t12-,13-,14+
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Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501912
PNG
(CHEMBL4586625)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(Cl)cn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H18ClF3N4O/c22-15-5-6-18-26-27-19(29(18)11-15)20(30)28-9-13-7-12(8-14(13)10-28)16-3-1-2-4-17(16)21(23,24)25/h1-6,11-14H,7-10H2/t12-,13-,14+
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n/an/a 4.5n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501909
PNG
(CHEMBL4470444)
Show SMILES Fc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1
Show InChI InChI=1S/C19H16F4N4O/c20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2
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n/an/a 4.60n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501930
PNG
(CHEMBL4439759)
Show SMILES Fc1ccc2[nH]nc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)c2c1
Show InChI InChI=1S/C20H17F4N3O/c21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
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n/an/a 4.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501902
PNG
(CHEMBL4457350)
Show SMILES Fc1ccc2c(n[nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H17F4N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
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n/an/a 4.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249544
PNG
(US10072016, Compound 142 | US10407433, Compound 14...)
Show SMILES Fc1ccc(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2
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n/an/a 4.90n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501936
PNG
(CHEMBL4435017)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2ncccc2n1
Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)15-5-2-1-4-14(15)13-7-10-25(11-8-13)18(27)16-12-26-17(24-16)6-3-9-23-26/h1-6,9,12-13H,7-8,10-11H2
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Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501900
PNG
(CHEMBL4463039)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)16-4-2-1-3-15(16)14-7-9-27(10-8-14)19(29)18-26-25-17-6-5-13(11-24)12-28(17)18/h1-6,12,14H,7-10H2
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n/an/a 5.10n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026242
PNG
(CHEMBL3359026)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@@H](C)C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O3/c1-10(16(24)25)22-17(26)23-8-12-6-11(7-13(12)9-23)14-4-2-3-5-15(14)18(19,20)21/h2-5,10-13H,6-9H2,1H3,(H,22,26)(H,24,25)/t10-,11-,12-,13+/m0/s1
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n/an/a 5.30n/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026247
PNG
(CHEMBL3358464)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)
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n/an/a 5.30n/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)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501898
PNG
(CHEMBL4588529)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C20H17ClF3N3O/c21-16-7-3-5-14-17(16)25-26-18(14)19(28)27-10-8-12(9-11-27)13-4-1-2-6-15(13)20(22,23)24/h1-7,12H,8-11H2,(H,25,26)
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n/an/a 5.5n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US10407433, Compound 65 ...)
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 5.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249559
PNG
(US10072016, Compound 157 | US10407433, Compound 15...)
Show SMILES Fc1cccc(c1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(20(22,23)24)17(15)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 5.80n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501913
PNG
(CHEMBL4525563)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(OC)cn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4O2/c1-31-16-6-7-19-26-27-20(29(19)12-16)21(30)28-10-14-8-13(9-15(14)11-28)17-4-2-3-5-18(17)22(23,24)25/h2-7,12-15H,8-11H2,1H3/t13-,14-,15+
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n/an/a 6n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501896
PNG
(CHEMBL4569872)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C#N)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)18-4-2-1-3-17(18)14-7-15-11-29(12-16(15)8-14)21(31)20-28-27-19-6-5-13(9-26)10-30(19)20/h1-6,10,14-16H,7-8,11-12H2/t14-,15-,16+
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n/an/a 6n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50104157
PNG
(CHEMBL3594231)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(=O)OC)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N3O2/c1-12-7-18(19(28)29-2)26-20(25-12)27-10-14-8-13(9-15(14)11-27)16-5-3-4-6-17(16)21(22,23)24/h3-7,13-15H,8-11H2,1-2H3/t13-,14-,15+
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n/an/a 6.30n/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


J Med Chem 58: 5863-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501907
PNG
(CHEMBL4591437)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1noc2ccccc12
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18/h1-8,13H,9-12H2
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n/an/a 6.30n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501901
PNG
(CHEMBL4539552)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2ccccc12
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18/h1-8,13H,9-12H2,(H,24,25)
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n/an/a 6.40n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501922
PNG
(CHEMBL4476117)
Show SMILES COc1ccc2nc(cn2n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O2/c1-29-18-7-6-17-24-16(12-27(17)25-18)19(28)26-10-8-13(9-11-26)14-4-2-3-5-15(14)20(21,22)23/h2-7,12-13H,8-11H2,1H3
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n/an/a 6.40n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50501926
PNG
(CHEMBL4467672)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)N1CCOCC1
Show InChI InChI=1S/C23H24F3N5O2/c24-23(25,26)18-4-2-1-3-17(18)16-7-9-30(10-8-16)22(32)19-15-31-20(27-19)5-6-21(28-31)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2
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n/an/a 6.70n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair
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