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Compile Data Set for Download or QSAR

Found 2112 hits with Last Name = 'carter' and Initial = 'ph'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50089354
PNG
(CHEMBL3577945)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r|
Show InChI InChI=1/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/s2
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341n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of muscarinic acetylcholine receptor M1 (unknown origin)


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50089354
PNG
(CHEMBL3577945)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r|
Show InChI InChI=1/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/s2
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865n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of muscarinic acetylcholine receptor M4 (unknown origin)


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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950n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to norepinephrine transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50089354
PNG
(CHEMBL3577945)
Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r|
Show InChI InChI=1/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/s2
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4.01E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of muscarinic acetylcholine receptor M2 (unknown origin)


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to norepinephrine transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231346
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
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n/an/a 0.00400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231377
PNG
(1-((2R,3S)-4-((cyclopropylmethyl)(3-(4-fluoropheny...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC2CC2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C28H38FN7O2/c1-4-20-14-23(27-32-33-34-35(27)3)16-25(15-20)31-28(38)30-19(2)26(37)18-36(17-22-7-8-22)13-5-6-21-9-11-24(29)12-10-21/h9-12,14-16,19,22,26,37H,4-8,13,17-18H2,1-3H3,(H2,30,31,38)/t19-,26+/m1/s1
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n/an/a 0.00500n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil at 30 nM


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/s2
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting


ACS Med Chem Lett 7: 283-8 (2016)


BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372859
PNG
(CHEMBL257074)
Show SMILES CCC[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)(C)O)-c1nnnn1C
Show InChI InChI=1S/C30H42FN7O2/c1-5-7-26(13-15-38-14-6-8-22(20-38)16-21-9-11-25(31)12-10-21)32-29(39)33-27-18-23(28-34-35-36-37(28)4)17-24(19-27)30(2,3)40/h9-12,17-19,22,26,40H,5-8,13-16,20H2,1-4H3,(H2,32,33,39)/t22-,26+/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372839
PNG
(CHEMBL437031)
Show SMILES CCc1cc(NC(=O)N[C@H](C)C[C@@H](O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-14-22(26-31-32-33-34(26)3)16-24(15-19)30-27(37)29-18(2)12-25(36)35-11-5-6-21(17-35)13-20-7-9-23(28)10-8-20/h7-10,14-16,18,21,25,36H,4-6,11-13,17H2,1-3H3,(H2,29,30,37)/t18-,21+,25-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231350
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-13-22(26-31-32-33-34(26)3)15-24(14-19)30-27(37)29-18(2)25(36)17-35-11-5-6-21(16-35)12-20-7-9-23(28)10-8-20/h7-10,13-15,18,21,25,36H,4-6,11-12,16-17H2,1-3H3,(H2,29,30,37)/t18-,21+,25+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
PDB

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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting


ACS Med Chem Lett 7: 283-8 (2016)


BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372861
PNG
(CHEMBL270582)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)=O
Show InChI InChI=1S/C27H34FN7O2/c1-18(10-12-35-11-4-5-21(17-35)13-20-6-8-24(28)9-7-20)29-27(37)30-25-15-22(19(2)36)14-23(16-25)26-31-32-33-34(26)3/h6-9,14-16,18,21H,4-5,10-13,17H2,1-3H3,(H2,29,30,37)/t18-,21+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372833
PNG
(CHEMBL427728)
Show SMILES CCc1cc(NC(=O)N[C@H](C)CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-4-20-15-23(26-31-32-33-34(26)3)17-25(16-20)30-27(36)29-19(2)11-13-35-12-5-6-22(18-35)14-21-7-9-24(28)10-8-21/h7-10,15-17,19,22H,4-6,11-14,18H2,1-3H3,(H2,29,30,36)/t19-,22+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372854
PNG
(CHEMBL257293)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O2/c1-18(2)22-14-23(27-32-33-34-35(27)4)16-25(15-22)31-28(38)30-19(3)12-26(37)36-11-5-6-21(17-36)13-20-7-9-24(29)10-8-20/h7-10,14-16,18-19,21,26,37H,5-6,11-13,17H2,1-4H3,(H2,30,31,38)/t19-,21+,26-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372842
PNG
(CHEMBL404122)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O/c1-19(2)23-15-24(27-32-33-34-35(27)4)17-26(16-23)31-28(37)30-20(3)11-13-36-12-5-6-22(18-36)14-21-7-9-25(29)10-8-21/h7-10,15-17,19-20,22H,5-6,11-14,18H2,1-4H3,(H2,30,31,37)/t20-,22+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163636
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372855
PNG
(CHEMBL402983)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H31BrFN7O2/c1-16(10-23(35)34-9-3-4-18(15-34)11-17-5-7-21(27)8-6-17)28-25(36)29-22-13-19(12-20(26)14-22)24-30-31-32-33(24)2/h5-8,12-14,16,18,23,35H,3-4,9-11,15H2,1-2H3,(H2,28,29,36)/t16-,18+,23-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372826
PNG
(CHEMBL401879)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O2/c1-21(15-28(38)35-12-2-5-23(20-35)16-22-6-8-24(30)9-7-22)33-29(39)34-25-17-26(36-13-3-10-31-36)19-27(18-25)37-14-4-11-32-37/h3-4,6-11,13-14,17-19,21,23,28,38H,2,5,12,15-16,20H2,1H3,(H2,33,34,39)/t21-,23+,28-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372857
PNG
(CHEMBL256068)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
Show InChI InChI=1S/C27H34FN3O4/c1-17(29-27(35)30-25-14-22(18(2)32)13-23(15-25)19(3)33)11-26(34)31-10-4-5-21(16-31)12-20-6-8-24(28)9-7-20/h6-9,13-15,17,21,26,34H,4-5,10-12,16H2,1-3H3,(H2,29,30,35)/t17-,21+,26-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372835
PNG
(CHEMBL258156)
Show SMILES C[C@H](C[C@@H](C)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-18(28-26(35)29-24-8-4-7-22(16-24)25-30-31-32-33(25)3)14-19(2)34-13-5-6-21(17-34)15-20-9-11-23(27)12-10-20/h4,7-12,16,18-19,21H,5-6,13-15,17H2,1-3H3,(H2,28,29,35)/t18-,19-,21+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209974
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209972
PNG
(1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CNCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C25H34FN5O2S/c1-16-23(17(2)32)34-25(28-16)30-24(33)29-22-13-27-10-9-20(22)15-31-11-3-4-19(14-31)12-18-5-7-21(26)8-6-18/h5-8,19-20,22,27H,3-4,9-15H2,1-2H3,(H2,28,29,30,33)/t19-,20-,22+/m0/s1
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n/an/a 0.0750n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372860
PNG
(CHEMBL270146)
Show SMILES CC[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)(C)O)-c1nnnn1C
Show InChI InChI=1S/C29H40FN7O2/c1-5-25(12-14-37-13-6-7-21(19-37)15-20-8-10-24(30)11-9-20)31-28(38)32-26-17-22(27-33-34-35-36(27)4)16-23(18-26)29(2,3)39/h8-11,16-18,21,25,39H,5-7,12-15,19H2,1-4H3,(H2,31,32,38)/t21-,25+/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372830
PNG
(CHEMBL270147)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C29H34FN7O/c1-22(10-16-35-13-2-5-24(21-35)17-23-6-8-25(30)9-7-23)33-29(38)34-26-18-27(36-14-3-11-31-36)20-28(19-26)37-15-4-12-32-37/h3-4,6-9,11-12,14-15,18-20,22,24H,2,5,10,13,16-17,21H2,1H3,(H2,33,34,38)/t22-,24+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372837
PNG
(CHEMBL429846)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1ccon1)-c1ccon1
Show InChI InChI=1S/C29H32FN5O4/c1-19(13-28(36)35-10-2-3-21(18-35)14-20-4-6-24(30)7-5-20)31-29(37)32-25-16-22(26-8-11-38-33-26)15-23(17-25)27-9-12-39-34-27/h4-9,11-12,15-17,19,21,28,36H,2-3,10,13-14,18H2,1H3,(H2,31,32,37)/t19-,21+,28-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239718
PNG
(CHEMBL4064666 | US10214537, Example 639)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
PDB
MMDB

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n/an/a<0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209989
PNG
(1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCNC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C25H34FN5O2S/c1-16-23(17(2)32)34-25(28-16)30-24(33)29-22-9-10-27-13-20(22)15-31-11-3-4-19(14-31)12-18-5-7-21(26)8-6-18/h5-8,19-20,22,27H,3-4,9-15H2,1-2H3,(H2,28,29,30,33)/t19-,20-,22+/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils


Bioorg Med Chem Lett 17: 2992-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.065
BindingDB Entry DOI: 10.7270/Q2V987SQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50255040
PNG
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)
Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR3 receptor (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50255040
PNG
(1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methy...)
Show SMILES CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
Show InChI InChI=1S/C28H35FN8O3/c1-28(31-26(38)30-23-8-4-7-21(15-23)25-32-33-34-36(25)3)18-35(2)27(39)40-24(28)17-37-13-5-6-20(16-37)14-19-9-11-22(29)12-10-19/h4,7-12,15,20,24H,5-6,13-14,16-18H2,1-3H3,(H2,30,31,38)/t20-,24?,28?/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR3 receptor (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Macaca fascicularis)
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 receptor in cynomolgus monkey eosinophil assessed as as inhibition of chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50254448
PNG
(1-(6-((ethyl(3-(4-fluorophenyl) propyl)amino)methy...)
Show SMILES CCN(CCCc1ccc(F)cc1)CC1OC(=O)N(C)CC1(C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H35FN8O3/c1-5-36(15-7-8-19-11-13-21(28)14-12-19)17-23-27(2,18-34(3)26(38)39-23)30-25(37)29-22-10-6-9-20(16-22)24-31-32-33-35(24)4/h6,9-14,16,23H,5,7-8,15,17-18H2,1-4H3,(H2,29,30,37)
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n/an/a 0.180n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR3 receptor (unknown origin)


Bioorg Med Chem Lett 19: 96-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.002
BindingDB Entry DOI: 10.7270/Q2MG7PCW
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231354
PNG
(1-((2R,3S)-4-(ethyl((S)-4-(4-fluorophenyl)butan-2-...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)CCc1ccc(F)cc1
Show InChI InChI=1S/C27H38FN7O2/c1-6-20-14-22(26-31-32-33-34(26)5)16-24(15-20)30-27(37)29-19(4)25(36)17-35(7-2)18(3)8-9-21-10-12-23(28)13-11-21/h10-16,18-19,25,36H,6-9,17H2,1-5H3,(H2,29,30,37)/t18-,19+,25-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372829
PNG
(CHEMBL428071)
Show SMILES C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H30FN7O2/c1-17(27-25(35)28-22-7-3-6-20(15-22)24-29-30-31-32(24)2)13-23(34)33-12-4-5-19(16-33)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,19+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231371
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C24H32FN7O2/c1-4-32(14-6-7-18-10-12-20(25)13-11-18)16-22(33)17(2)26-24(34)27-21-9-5-8-19(15-21)23-28-29-30-31(23)3/h5,8-13,15,17,22,33H,4,6-7,14,16H2,1-3H3,(H2,26,27,34)/t17-,22+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268371
PNG
(CHEMBL502247 | N-(2-((1S,2R,4R)-4-(isopropyl(methy...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H36F3N3O4S2/c1-18(2)34(3)22-8-13-25(20(15-22)17-40(37,38)24-11-9-23(39-4)10-12-24)33-26(35)16-32-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,18,20,22,25H,8,13,15-17H2,1-4H3,(H,32,36)(H,33,35)/t20-,22+,25-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis


Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009224
PNG
(CHEMBL3233188)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C27H40F3N3O4S/c1-17(2)32(6)21-10-11-23(19(15-21)16-38(36,37)26(3,4)5)33-13-12-22(25(33)35)31-24(34)18-8-7-9-20(14-18)27(28,29)30/h7-9,14,17,19,21-23H,10-13,15-16H2,1-6H3,(H,31,34)/t19-,21+,22-,23-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Bioorg Med Chem Lett 24: 1843-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
More data for this
Ligand-Target Pair
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