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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'LDL receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
LDL receptor


(Homo sapiens)
BDBM50052676
PNG
(CHEMBL115304 | N-[3-(1H-Benzoimidazol-2-yl)-4-meth...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H27N3O/c1-16-11-13-18(24-22(27)14-12-17-7-3-2-4-8-17)15-19(16)23-25-20-9-5-6-10-21(20)26-23/h5-6,9-11,13,15,17H,2-4,7-8,12,14H2,1H3,(H,24,27)(H,25,26)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052682
PNG
(3-Cyclohexyl-N-[3-(5-hydroxy-1H-benzoimidazol-2-yl...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nc2ccc(O)cc2[nH]1
Show InChI InChI=1S/C23H27N3O2/c1-15-7-9-17(24-22(28)12-8-16-5-3-2-4-6-16)13-19(15)23-25-20-11-10-18(27)14-21(20)26-23/h7,9-11,13-14,16,27H,2-6,8,12H2,1H3,(H,24,28)(H,25,26)
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n/an/an/an/a 700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052678
PNG
(3-Cyclohexyl-N-[4-methyl-3-(5-methyl-1H-benzoimida...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1cc(NC(=O)CCC2CCCCC2)ccc1C
Show InChI InChI=1S/C24H29N3O/c1-16-8-12-21-22(14-16)27-24(26-21)20-15-19(11-9-17(20)2)25-23(28)13-10-18-6-4-3-5-7-18/h8-9,11-12,14-15,18H,3-7,10,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052679
PNG
(CHEMBL112537 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-17-12-14-20(24-22(26)15-13-18-8-4-2-5-9-18)16-21(17)25-23(27)19-10-6-3-7-11-19/h3,6-7,10-12,14,16,18H,2,4-5,8-9,13,15H2,1H3,(H,24,26)(H,25,27)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052681
PNG
(CHEMBL114890 | N-[3-((Z)-2-Benzo[1,3]dioxol-5-yl-2...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1\C=C(/C#N)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H28N2O3/c1-18-7-10-23(28-26(29)12-8-19-5-3-2-4-6-19)14-21(18)13-22(16-27)20-9-11-24-25(15-20)31-17-30-24/h7,9-11,13-15,19H,2-6,8,12,17H2,1H3,(H,28,29)/b22-13+
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n/an/an/an/a 700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052688
PNG
(CHEMBL419042 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C23H28N2O3/c1-16-10-12-19(24-22(27)13-11-17-6-3-2-4-7-17)15-21(16)25-23(28)18-8-5-9-20(26)14-18/h5,8-10,12,14-15,17,26H,2-4,6-7,11,13H2,1H3,(H,24,27)(H,25,28)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052686
PNG
(CHEMBL115992 | N-{3-[(Benzo[1,3]dioxol-5-ylmethyl)...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NCc1ccc2OCOc2c1
Show InChI InChI=1S/C24H30N2O3/c1-17-7-10-20(26-24(27)12-9-18-5-3-2-4-6-18)14-21(17)25-15-19-8-11-22-23(13-19)29-16-28-22/h7-8,10-11,13-14,18,25H,2-6,9,12,15-16H2,1H3,(H,26,27)
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n/an/an/an/a 600n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052687
PNG
(CHEMBL114705 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C22H27N3O2/c1-16-9-11-19(24-21(26)12-10-17-6-3-2-4-7-17)14-20(16)25-22(27)18-8-5-13-23-15-18/h5,8-9,11,13-15,17H,2-4,6-7,10,12H2,1H3,(H,24,26)(H,25,27)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052690
PNG
(Acetic acid 4-[5-(3-cyclohexyl-propionylamino)-2-m...)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)CCC2CCCCC2)ccc1C
Show InChI InChI=1S/C25H30N2O4/c1-17-8-12-21(26-24(29)15-9-19-6-4-3-5-7-19)16-23(17)27-25(30)20-10-13-22(14-11-20)31-18(2)28/h8,10-14,16,19H,3-7,9,15H2,1-2H3,(H,26,29)(H,27,30)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052689
PNG
(CHEMBL115205 | N-[5-(4-Cyclohexyl-butyrylamino)-2-...)
Show SMILES Cc1ccc(NC(=O)CCCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H30N2O3/c1-17-10-13-20(25-23(28)9-5-8-18-6-3-2-4-7-18)16-22(17)26-24(29)19-11-14-21(27)15-12-19/h10-16,18,27H,2-9H2,1H3,(H,25,28)(H,26,29)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052691
PNG
(CHEMBL114199 | N-[5-(4-Cyclohexyl-butyryl)-2-methy...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccnc1)C(=O)CCCC1CCCCC1
Show InChI InChI=1S/C23H28N2O2/c1-17-12-13-19(22(26)11-5-9-18-7-3-2-4-8-18)15-21(17)25-23(27)20-10-6-14-24-16-20/h6,10,12-16,18H,2-5,7-9,11H2,1H3,(H,25,27)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half the maximum Low density lipoprotein receptor upregulation is observed in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052692
PNG
(5-(3-Cyclohexyl-propionylamino)-N-(4-hydroxy-pheny...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C23H28N2O3/c1-16-7-9-19(24-22(27)14-8-17-5-3-2-4-6-17)15-21(16)23(28)25-18-10-12-20(26)13-11-18/h7,9-13,15,17,26H,2-6,8,14H2,1H3,(H,24,27)(H,25,28)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052683
PNG
(CHEMBL112449 | N-[3-((Z)-2-Cyano-2-pyridin-3-yl-vi...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1\C=C(/C#N)c1cccnc1
Show InChI InChI=1S/C24H27N3O/c1-18-9-11-23(27-24(28)12-10-19-6-3-2-4-7-19)15-21(18)14-22(16-25)20-8-5-13-26-17-20/h5,8-9,11,13-15,17,19H,2-4,6-7,10,12H2,1H3,(H,27,28)/b22-14+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052680
PNG
(CHEMBL419763 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C23H28N2O3/c1-16-7-11-19(24-22(27)14-8-17-5-3-2-4-6-17)15-21(16)25-23(28)18-9-12-20(26)13-10-18/h7,9-13,15,17,26H,2-6,8,14H2,1H3,(H,24,27)(H,25,28)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052685
PNG
(4-Amino-N-[5-(3-cyclohexyl-propionylamino)-2-methy...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C23H29N3O2/c1-16-7-13-20(25-22(27)14-8-17-5-3-2-4-6-17)15-21(16)26-23(28)18-9-11-19(24)12-10-18/h7,9-13,15,17H,2-6,8,14,24H2,1H3,(H,25,27)(H,26,28)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052684
PNG
(CHEMBL112106 | N-[5-(3-Cyclohexyl-propionylamino)-...)
Show SMILES Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C24H30N2O3/c1-17-7-13-21(25-23(28)14-10-18-5-3-2-4-6-18)15-22(17)26-24(29)20-11-8-19(16-27)9-12-20/h7-9,11-13,15,18,27H,2-6,10,14,16H2,1H3,(H,25,28)(H,26,29)
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n/an/an/an/a 7.60E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
LDL receptor


(Homo sapiens)
BDBM50052677
PNG
(CHEMBL115779 | N-(2-Cyclohexyl-ethyl)-3-(4-hydroxy...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(O)cc1)C(=O)NCCC1CCCCC1
Show InChI InChI=1S/C23H28N2O3/c1-16-7-8-19(22(27)24-14-13-17-5-3-2-4-6-17)15-21(16)25-23(28)18-9-11-20(26)12-10-18/h7-12,15,17,26H,2-6,13-14H2,1H3,(H,24,27)(H,25,28)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair