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Compile Data Set for Download or QSAR

Found 301 hits with Last Name = 'varadi' and Initial = 'a'   
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
Mu-type opioid receptor


(MOUSE)
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609010
PNG
(CHEMBL5276728)
Show SMILES CC[C@@H]1C[N+]2=C(C[C@@H]1\C(=C/OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2 |r,c:4|
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More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
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
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50519927
PNG
(CHEMBL4546925)
Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50474151
PNG
(CHEMBL292521)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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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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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
Delta-type opioid receptor


(MOUSE)
BDBM50609011
PNG
(CHEMBL5287921)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50566317
PNG
(CHEMBL4848517)
Show SMILES [H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
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More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50609009
PNG
(CHEMBL56717)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)C[N+]1([O-])CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC
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Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50566316
PNG
(CHEMBL4859858)
Show SMILES [H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
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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))
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))
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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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))
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))
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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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))
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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n/an/a 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))
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))
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))
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))
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))
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
PDB
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UniChem
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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
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