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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4' and Ligand = 'BDBM50019040'   
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))
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))
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 14n/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)


Article DOI: 10.1016/j.bmcl.2014.04.089
BindingDB Entry DOI: 10.7270/Q2154JMV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 15n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Displacement of [3H]retinol from biotinylated human RBP4 by scintillation proximity assay


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))
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 15n/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
3D
3D Structure (crystal)
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 15n/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
3D
3D Structure (crystal)
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 89n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-retinol from human recombinant RBP4 by scintillation proximity assay


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


Article DOI: 10.1016/j.bmcl.2014.04.089
BindingDB Entry DOI: 10.7270/Q2154JMV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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CHEMBL
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n/an/a 122n/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF 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
3D
3D Structure (crystal)