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Compile Data Set for Download or QSAR

Found 82 hits from Columbia University Medical Center   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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0.776n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]SB-258585 from human recombinant 5HT6 receptor using methiothepin after 45 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5255-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.090
BindingDB Entry DOI: 10.7270/Q2TM7CDV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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37n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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512n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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1.03E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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1.77E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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2.13E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Retinol-binding protein 4 (RBP4)


(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=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 (RBP4)


(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=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 (RBP4)


(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 (RBP4)


(Homo sapiens (Human))
BDBM50104157
PNG
(CHEMBL3594231)
Show SMILES COC(=O)c1cc(C)nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
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 (RBP4)


(Homo sapiens (Human))
BDBM50104146
PNG
(CHEMBL3593525)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)-c1nnn[nH]1
Show InChI InChI=1S/C20H20F3N7/c1-11-6-17(18-26-28-29-27-18)25-19(24-11)30-9-13-7-12(8-14(13)10-30)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,26,27,28,29)/t12-,13-,14+
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n/an/a 7.5n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104154
PNG
(CHEMBL3594234)
Show SMILES OC(=O)c1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N3O2/c21-19(22,23)14-4-2-1-3-13(14)10-5-11-8-29(9-12(11)6-10)18-27-15(17(30)31)7-16(28-18)20(24,25)26/h1-4,7,10-12H,5-6,8-9H2,(H,30,31)/t10-,11-,12+
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n/an/a 9.60n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104177
PNG
(CHEMBL3594227)
Show SMILES COC(=O)c1cc(C)nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O2/c1-12-11-14(16(26)27-2)23-17(22-12)25-9-7-24(8-10-25)15-6-4-3-5-13(15)18(19,20)21/h3-6,11H,7-10H2,1-2H3
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n/an/a 9.70n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104153
PNG
(CHEMBL3594235)
Show SMILES COc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3N3O3/c1-29-17-8-16(18(27)28)24-19(25-17)26-9-12-6-11(7-13(12)10-26)14-4-2-3-5-15(14)20(21,22)23/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,27,28)/t11-,12-,13+
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n/an/a 13n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104156
PNG
(CHEMBL3594232)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+
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n/an/a 13n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104192
PNG
(CHEMBL3593526)
Show SMILES Cc1cc(nc(c1)C(O)=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-18(20(27)28)25-19(7-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-17(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+
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n/an/a 14n/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 (RBP4)


(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 (RBP4)


(Homo sapiens (Human))
BDBM50104155
PNG
(CHEMBL3594233)
Show SMILES OC(=O)c1ccnc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-7-12-9-25(10-13(12)8-11)18-23-6-5-16(24-18)17(26)27/h1-6,11-13H,7-10H2,(H,26,27)/t11-,12-,13+
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n/an/a 21n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104186
PNG
(CHEMBL3593534)
Show SMILES OC(=O)c1cnnc(c1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-4-2-1-3-15(16)11-5-13-9-25(10-14(13)6-11)17-7-12(18(26)27)8-23-24-17/h1-4,7-8,11,13-14H,5-6,9-10H2,(H,26,27)/t11-,13-,14+
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n/an/a 23n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104185
PNG
(CHEMBL3593535)
Show SMILES Cc1sc(nc1C(O)=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O2S/c1-10-16(17(25)26)23-18(27-10)24-8-12-6-11(7-13(12)9-24)14-4-2-3-5-15(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+
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n/an/a 29n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104180
PNG
(CHEMBL3593693)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1cccnc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H19F3N4O2/c1-10-5-15(17(27)28)25-18(24-10)26-8-12-6-11(7-13(12)9-26)14-3-2-4-23-16(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,27,28)/t11-,12-,13+
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n/an/a 31n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104184
PNG
(CHEMBL3593536)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1cc(F)ccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F4N3O2/c1-10-4-17(18(28)29)26-19(25-10)27-8-12-5-11(6-13(12)9-27)15-7-14(21)2-3-16(15)20(22,23)24/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,28,29)/t11-,12-,13+
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n/an/a 33n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104178
PNG
(CHEMBL3594226)
Show SMILES Cc1cc(nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C18H18F3N3O2/c1-11-10-15(16(25)26)23-17(22-11)24-8-6-12(7-9-24)13-4-2-3-5-14(13)18(19,20)21/h2-5,10,12H,6-9H2,1H3,(H,25,26)
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n/an/a 35n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104149
PNG
(CHEMBL3594239)
Show SMILES Cc1nc(ncc1C(O)=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O2/c1-11-16(18(27)28)8-24-19(25-11)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-17(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+
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n/an/a 41n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104187
PNG
(CHEMBL3593532)
Show SMILES OC(=O)c1cccnc1N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-4-15(17)12-8-13-10-25(11-14(13)9-12)18-16(19(26)27)5-3-7-24-18/h1-7,12-14H,8-11H2,(H,26,27)/t12-,13-,14+
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n/an/a 44n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104156
PNG
(CHEMBL3594232)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+
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n/an/a 44n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104184
PNG
(CHEMBL3593536)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1cc(F)ccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F4N3O2/c1-10-4-17(18(28)29)26-19(25-10)27-8-12-5-11(6-13(12)9-27)15-7-14(21)2-3-16(15)20(22,23)24/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,28,29)/t11-,12-,13+
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n/an/a 46n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104151
PNG
(CHEMBL3594237)
Show SMILES Cc1nc(nc(C(O)=O)c1C)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O2/c1-11-12(2)25-20(26-18(11)19(28)29)27-9-14-7-13(8-15(14)10-27)16-5-3-4-6-17(16)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3,(H,28,29)/t13-,14-,15+
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n/an/a 49n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104181
PNG
(CHEMBL3593540)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1cnccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H19F3N4O2/c1-10-4-16(17(27)28)25-18(24-10)26-8-12-5-11(6-13(12)9-26)14-7-23-3-2-15(14)19(20,21)22/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,27,28)/t11-,12-,13+
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n/an/a 52n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104191
PNG
(CHEMBL3593527)
Show SMILES Cc1cc(cc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-14(20(27)28)9-19(25-12)26-10-15-7-13(8-16(15)11-26)17-4-2-3-5-18(17)21(22,23)24/h2-6,9,13,15-16H,7-8,10-11H2,1H3,(H,27,28)/t13-,15-,16+
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n/an/a 53n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104158
PNG
(CHEMBL3594230)
Show SMILES Cc1cc(nc(n1)N1C[C@H]2CN(C[C@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H19F3N4O2/c1-11-6-15(17(27)28)24-18(23-11)26-9-12-7-25(8-13(12)10-26)16-5-3-2-4-14(16)19(20,21)22/h2-6,12-13H,7-10H2,1H3,(H,27,28)/t12-,13+
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n/an/a 57n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104188
PNG
(CHEMBL3593531)
Show SMILES Cc1ccc(C(O)=O)c(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-7-17(20(27)28)19(25-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-18(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+
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n/an/a 68n/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 (RBP4)


(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=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 74n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104155
PNG
(CHEMBL3594233)
Show SMILES OC(=O)c1ccnc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-7-12-9-25(10-13(12)8-11)18-23-6-5-16(24-18)17(26)27/h1-6,11-13H,7-10H2,(H,26,27)/t11-,12-,13+
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n/an/a 80n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104153
PNG
(CHEMBL3594235)
Show SMILES COc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H20F3N3O3/c1-29-17-8-16(18(27)28)24-19(25-17)26-9-12-6-11(7-13(12)10-26)14-4-2-3-5-15(14)20(21,22)23/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,27,28)/t11-,12-,13+
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n/an/a 81n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104189
PNG
(CHEMBL3593530)
Show SMILES OC(=O)c1cccc(c1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H20F3NO2/c22-21(23,24)19-7-2-1-6-18(19)14-8-15-11-25(12-16(15)9-14)17-5-3-4-13(10-17)20(26)27/h1-7,10,14-16H,8-9,11-12H2,(H,26,27)/t14-,15-,16+
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n/an/a 83n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104154
PNG
(CHEMBL3594234)
Show SMILES OC(=O)c1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N3O2/c21-19(22,23)14-4-2-1-3-13(14)10-5-11-8-29(9-12(11)6-10)18-27-15(17(30)31)7-16(28-18)20(24,25)26/h1-4,7,10-12H,5-6,8-9H2,(H,30,31)/t10-,11-,12+
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n/an/a 88n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104176
PNG
(CHEMBL3594228)
Show SMILES Cc1cc(nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H17F3N4O2/c1-11-10-13(15(25)26)22-16(21-11)24-8-6-23(7-9-24)14-5-3-2-4-12(14)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,25,26)
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n/an/a 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 (RBP4)


(Homo sapiens (Human))
BDBM50104150
PNG
(CHEMBL3594238)
Show SMILES Cc1cnc(nc1C(O)=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O2/c1-11-8-24-19(25-17(11)18(27)28)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+
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n/an/a 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 (RBP4)


(Homo sapiens (Human))
BDBM50104157
PNG
(CHEMBL3594231)
Show SMILES COC(=O)c1cc(C)nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
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 100n/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
Retinol-binding protein 4 (RBP4)


(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 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)
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104151
PNG
(CHEMBL3594237)
Show SMILES Cc1nc(nc(C(O)=O)c1C)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O2/c1-11-12(2)25-20(26-18(11)19(28)29)27-9-14-7-13(8-15(14)10-27)16-5-3-4-6-17(16)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3,(H,28,29)/t13-,14-,15+
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n/an/a 123n/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
Retinol-binding protein 4 (RBP4)


(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 132n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104182
PNG
(CHEMBL3593539)
Show SMILES Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1cccc(F)c1Cl)C(O)=O
Show InChI InChI=1S/C19H19ClFN3O2/c1-10-5-16(18(25)26)23-19(22-10)24-8-12-6-11(7-13(12)9-24)14-3-2-4-15(21)17(14)20/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+
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n/an/a 137n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104158
PNG
(CHEMBL3594230)
Show SMILES Cc1cc(nc(n1)N1C[C@H]2CN(C[C@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H19F3N4O2/c1-11-6-15(17(27)28)24-18(23-11)26-9-12-7-25(8-13(12)10-26)16-5-3-2-4-14(16)19(20,21)22/h2-6,12-13H,7-10H2,1H3,(H,27,28)/t12-,13+
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n/an/a 140n/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
Retinol-binding protein 4 (RBP4)


(Homo sapiens (Human))
BDBM50104152
PNG
(CHEMBL3594236)
Show SMILES CC(C)c1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H24F3N3O2/c1-12(2)18-9-19(20(29)30)27-21(26-18)28-10-14-7-13(8-15(14)11-28)16-5-3-4-6-17(16)22(23,24)25/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,29,30)/t13-,14-,15+
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n/an/a 153n/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 (RBP4)


(Homo sapiens (Human))
BDBM50104195
PNG
(CHEMBL3593533)
Show SMILES OC(=O)c1cncc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-5-12-9-25(10-13(12)6-11)17-8-23-7-16(24-17)18(26)27/h1-4,7-8,11-13H,5-6,9-10H2,(H,26,27)/t11-,12-,13+
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n/an/a 166n/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
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