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16 similar compounds to monomer 50178700

Compile data set for download or QSAR
Wt: 609.5
BDBM50178701
Wt: 520.8
BDBM50178689
Wt: 584.8
BDBM50178693
Wt: 452.8
BDBM50178694
Wt: 468.8
BDBM50178695
Wt: 595.4
BDBM50178699
Wt: 342.8
BDBM50178705
Wt: 372.8
BDBM50178707
Wt: 354.7
BDBM50178708
Wt: 384.8
BDBM50178709
Wt: 386.2
BDBM50178712
Wt: 337.4
BDBM50178713
Wt: 342.8
BDBM50178716
Wt: 342.8
BDBM50178718
Wt: 609.5
BDBM50178702
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50178701,50178689,50178693,50178694,50178695,50178699,50178705,50178707,50178708,50178709,50178712,50178713,50178716,50178718,50178702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178689
PNG
(CHEMBL3814561)
Show SMILES CO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF7N2O/c1-35-21(24(30,31)32)14-34-22(12-15-5-3-2-4-6-15,20-8-7-18(25)13-33-20)16-9-17(23(27,28)29)11-19(26)10-16/h2-11,13,21,34H,12,14H2,1H3/t21-,22+/m1/s1
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n/an/a 253n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178709
PNG
(CHEMBL3814683)
Show SMILES CC1(CCOCC1)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(6-8-27-9-7-21)15-4-2-14(3-5-15)13-24-18-10-16(22)12-23-17(18)11-19(24)20(25)26/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
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n/an/a 70n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178694
PNG
(CHEMBL3814612)
Show SMILES C[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178695
PNG
(CHEMBL3815118)
Show SMILES OC[C@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClF4N2O2/c24-18-6-7-21(29-12-18)22(30-13-20(32)14-31,11-15-4-2-1-3-5-15)16-8-17(23(26,27)28)10-19(25)9-16/h1-10,12,20,30-32H,11,13-14H2/t20-,22+/m1/s1
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n/an/a 8.53E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178689
PNG
(CHEMBL3814561)
Show SMILES CO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF7N2O/c1-35-21(24(30,31)32)14-34-22(12-15-5-3-2-4-6-15,20-8-7-18(25)13-33-20)16-9-17(23(27,28)29)11-19(26)10-16/h2-11,13,21,34H,12,14H2,1H3/t21-,22+/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178694
PNG
(CHEMBL3814612)
Show SMILES C[C@@H](O)CN[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClF4N2O/c1-15(31)13-30-22(12-16-5-3-2-4-6-16,21-8-7-19(24)14-29-21)17-9-18(23(26,27)28)11-20(25)10-17/h2-11,14-15,30-31H,12-13H2,1H3/t15-,22+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG expressed in HEK293 cells assessed as inhibition of peak tail current by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50178699
PNG
(CHEMBL3813836)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50178701
PNG
(CHEMBL3814374)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50178702
PNG
(CHEMBL3814963)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1
Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178705
PNG
(CHEMBL3814804)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cnc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15-9-17(20)21-10-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178707
PNG
(CHEMBL3814811)
Show SMILES COCC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H21ClN2O3/c1-20(2,12-26-3)14-6-4-13(5-7-14)11-23-17-8-15(21)10-22-16(17)9-18(23)19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)
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n/an/a 218n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178708
PNG
(CHEMBL3814251)
Show SMILES OC(=O)c1cc2ncc(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
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n/an/a 590n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178709
PNG
(CHEMBL3814683)
Show SMILES CC1(CCOCC1)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(6-8-27-9-7-21)15-4-2-14(3-5-15)13-24-18-10-16(22)12-23-17(18)11-19(24)20(25)26/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178712
PNG
(CHEMBL3813888)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(Br)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H20BrNO2/c1-20(2,3)15-7-4-13(5-8-15)12-22-17-11-16(21)9-6-14(17)10-18(22)19(23)24/h4-11H,12H2,1-3H3,(H,23,24)
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n/an/a 36n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178713
PNG
(CHEMBL3815051)
Show SMILES COc1ccc2cc(C(O)=O)n(Cc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-8-5-14(6-9-16)13-22-18-12-17(25-4)10-7-15(18)11-19(22)20(23)24/h5-12H,13H2,1-4H3,(H,23,24)
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n/an/a 75n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178716
PNG
(CHEMBL3814511)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cn1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)17-7-4-12(10-21-17)11-22-15-9-14(20)6-5-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 29n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178718
PNG
(CHEMBL3814598)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cccc(Cl)c23)C(O)=O)cn1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)16-8-7-12(10-21-16)11-22-15(18(23)24)9-13-5-4-6-14(20)17(13)22/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 451n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178705
PNG
(CHEMBL3814804)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cnc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15-9-17(20)21-10-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178707
PNG
(CHEMBL3814811)
Show SMILES COCC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C20H21ClN2O3/c1-20(2,12-26-3)14-6-4-13(5-7-14)11-23-17-8-15(21)10-22-16(17)9-18(23)19(24)25/h4-10H,11-12H2,1-3H3,(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178708
PNG
(CHEMBL3814251)
Show SMILES OC(=O)c1cc2ncc(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
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n/an/a 113n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178693
PNG
(CHEMBL3814330)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NC(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F
Show InChI InChI=1S/C28H17ClF8N2O/c29-20-7-9-24(38-15-20)26(14-16-4-2-1-3-5-16,18-11-19(27(32,33)34)13-21(30)12-18)39-25(40)17-6-8-23(31)22(10-17)28(35,36)37/h1-13,15H,14H2,(H,39,40)/t26-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.058
BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair