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Compile Data Set for Download or QSAR

Found 7 hits of ec50 for UniProtKB: P02753   
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
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347597
PNG
(CHEMBL60405)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NCCO
Show InChI InChI=1S/C22H33NO2/c1-17(8-6-9-18(2)16-21(25)23-14-15-24)11-12-20-19(3)10-7-13-22(20,4)5/h6,8-9,11-12,16,24H,7,10,13-15H2,1-5H3,(H,23,25)/b9-6+,12-11+,17-8+,18-16+
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n/an/an/an/a 145n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347599
PNG
(CHEMBL1802454)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)N1CCOCC1
Show InChI InChI=1S/C24H35NO2/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(26)25-14-16-27-17-15-25/h6,8-9,11-12,18H,7,10,13-17H2,1-5H3/b9-6+,12-11+,19-8+,20-18+
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n/an/an/an/a 154n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347596
PNG
(CHEMBL1803043)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NCC(O)CO
Show InChI InChI=1S/C23H35NO3/c1-17(11-12-21-19(3)10-7-13-23(21,4)5)8-6-9-18(2)14-22(27)24-15-20(26)16-25/h6,8-9,11-12,14,20,25-26H,7,10,13,15-16H2,1-5H3,(H,24,27)/b9-6+,12-11+,17-8+,18-14+
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n/an/an/an/a 171n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347595
PNG
(CHEMBL58106)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18-
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n/an/an/an/a 245n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347598
PNG
(CHEMBL1802450)
Show SMILES CN(C)c1ccc(NC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1
Show InChI InChI=1S/C28H38N2O/c1-21(13-18-26-23(3)12-9-19-28(26,4)5)10-8-11-22(2)20-27(31)29-24-14-16-25(17-15-24)30(6)7/h8,10-11,13-18,20H,9,12,19H2,1-7H3,(H,29,31)/b11-8+,18-13+,21-10+,22-20+
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n/an/an/an/a 954n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50347594
PNG
(CHEMBL1801542)
Show SMILES COC(=O)COc1ccc(NC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1
Show InChI InChI=1S/C29H37NO4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-27(31)30-24-13-15-25(16-14-24)34-20-28(32)33-6/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3,(H,30,31)/b10-7+,17-12+,21-9+,22-19+
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n/an/an/an/a 1.26E+3n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50092055
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
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n/an/an/an/a 2.37E+3n/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein inter...


J Med Chem 54: 4378-87 (2011)


Article DOI: 10.1021/jm200256g
BindingDB Entry DOI: 10.7270/Q2D21XZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)