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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 50012321   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117461
PNG
(3-[3-(3-Acetyl-phenyl)-ureido]-2-[4-(4-fluoro-benz...)
Show SMILES CNC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(C)=O)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H33FN4O3/c1-20(36)23-5-3-6-25(18-23)33-30(38)34-28-8-4-7-26(29(37)32-2)27(28)19-35-15-13-22(14-16-35)17-21-9-11-24(31)12-10-21/h3-12,18,22H,13-17,19H2,1-2H3,(H,32,37)(H2,33,34,38)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117393
PNG
(3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzy...)
Show SMILES CNC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H30FN5O2/c1-32-28(36)25-6-3-7-27(34-29(37)33-24-5-2-4-22(17-24)18-31)26(25)19-35-14-12-21(13-15-35)16-20-8-10-23(30)11-9-20/h2-11,17,21H,12-16,19H2,1H3,(H,32,36)(H2,33,34,37)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117474
PNG
(1-{6-[3-(3-Acetyl-phenyl)-ureido]-benzo[1,3]dioxol...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cc3OCOc3cc2C[N+]2(C)CCC(Cc3ccc(F)cc3)CC2)c1 |(.22,-10.86,;-1.12,-10.09,;-2.46,-10.86,;-1.13,-8.54,;-2.45,-7.78,;-2.45,-6.24,;-1.12,-5.47,;.22,-6.24,;1.55,-5.49,;2.89,-6.26,;2.88,-7.79,;4.23,-5.49,;4.23,-3.95,;2.91,-3.17,;2.91,-1.63,;1.6,-.85,;2.35,.7,;4.27,.66,;4.25,-.88,;5.59,-1.65,;5.56,-3.2,;6.89,-3.97,;8.21,-3.21,;8.61,-4.7,;9.55,-3.98,;10.9,-3.22,;10.88,-1.69,;12.22,-.92,;13.56,-1.67,;13.56,-3.22,;14.89,-3.99,;16.23,-3.22,;17.57,-3.99,;16.23,-1.67,;14.89,-.91,;9.55,-.9,;8.23,-1.67,;.2,-7.78,)|
Show InChI InChI=1S/C30H32FN3O4/c1-20(35)23-4-3-5-26(15-23)32-30(36)33-27-17-29-28(37-19-38-29)16-24(27)18-34(2)12-10-22(11-13-34)14-21-6-8-25(31)9-7-21/h3-9,15-17,22H,10-14,18-19H2,1-2H3,(H-,32,33,36)/p+1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117404
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-[3-...)
Show SMILES CNC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H33FN4O3/c1-31-28(35)25-7-4-8-27(33-29(36)32-23-5-3-6-24(18-23)37-2)26(25)19-34-15-13-21(14-16-34)17-20-9-11-22(30)12-10-20/h3-12,18,21H,13-17,19H2,1-2H3,(H,31,35)(H2,32,33,36)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117483
PNG
(1-{6-[3-(3-Cyano-phenyl)-ureido]-benzo[1,3]dioxol-...)
Show SMILES C[N+]1(Cc2cc3OCOc3cc2NC(=O)Nc2cccc(c2)C#N)CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H29FN4O3.HI/c1-34(11-9-21(10-12-34)13-20-5-7-24(30)8-6-20)18-23-15-27-28(37-19-36-27)16-26(23)33-29(35)32-25-4-2-3-22(14-25)17-31;/h2-8,14-16,21H,9-13,18-19H2,1H3,(H-,32,33,35);1H
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117392
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-N-met...)
Show SMILES CNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-30-27(34)24-8-5-9-26(32-28(35)31-23-6-3-2-4-7-23)25(24)19-33-16-14-21(15-17-33)18-20-10-12-22(29)13-11-20/h2-13,21H,14-19H2,1H3,(H,30,34)(H2,31,32,35)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117405
PNG
(3-[3-(3-Acetyl-phenyl)-ureido]-2-[4-(4-fluoro-benz...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(C(N)=O)c2CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C29H31FN4O3/c1-19(35)22-4-2-5-24(17-22)32-29(37)33-27-7-3-6-25(28(31)36)26(27)18-34-14-12-21(13-15-34)16-20-8-10-23(30)11-9-20/h2-11,17,21H,12-16,18H2,1H3,(H2,31,36)(H2,32,33,37)
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117430
PNG
(1-(3-Acetyl-phenyl)-3-(2-{2-[4-(4-fluoro-benzyl)-p...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)25-6-4-7-27(20-25)31-29(35)32-28-8-3-2-5-24(28)15-18-33-16-13-23(14-17-33)19-22-9-11-26(30)12-10-22/h2-12,20,23H,13-19H2,1H3,(H2,31,32,35)
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n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117451
PNG
(3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzy...)
Show SMILES NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H28FN5O2/c29-22-9-7-19(8-10-22)15-20-11-13-34(14-12-20)18-25-24(27(31)35)5-2-6-26(25)33-28(36)32-23-4-1-3-21(16-23)17-30/h1-10,16,20H,11-15,18H2,(H2,31,35)(H2,32,33,36)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117448
PNG
(4-[3-(3-Acetyl-phenyl)-ureido]-3-[4-(4-fluoro-benz...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(cc2CN2CCC(Cc3ccc(F)cc3)CC2)C(N)=O)c1
Show InChI InChI=1S/C29H31FN4O3/c1-19(35)22-3-2-4-26(17-22)32-29(37)33-27-10-7-23(28(31)36)16-24(27)18-34-13-11-21(12-14-34)15-20-5-8-25(30)9-6-20/h2-10,16-17,21H,11-15,18H2,1H3,(H2,31,36)(H2,32,33,37)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117389
PNG
(3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzy...)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H29FN4O3/c1-37-28(35)25-6-3-7-27(33-29(36)32-24-5-2-4-22(17-24)18-31)26(25)19-34-14-12-21(13-15-34)16-20-8-10-23(30)11-9-20/h2-11,17,21H,12-16,19H2,1H3,(H2,32,33,36)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117447
PNG
(3-[3-(3-Acetyl-phenyl)-ureido]-2-[4-(4-fluoro-benz...)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(C)=O)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H32FN3O4/c1-20(35)23-5-3-6-25(18-23)32-30(37)33-28-8-4-7-26(29(36)38-2)27(28)19-34-15-13-22(14-16-34)17-21-9-11-24(31)12-10-21/h3-12,18,22H,13-17,19H2,1-2H3,(H2,32,33,37)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117484
PNG
(4-[3-(3-Cyano-phenyl)-ureido]-3-[4-(4-fluoro-benzy...)
Show SMILES NC(=O)c1ccc(NC(=O)Nc2cccc(c2)C#N)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H28FN5O2/c29-24-7-4-19(5-8-24)14-20-10-12-34(13-11-20)18-23-16-22(27(31)35)6-9-26(23)33-28(36)32-25-3-1-2-21(15-25)17-30/h1-9,15-16,20H,10-14,18H2,(H2,31,35)(H2,32,33,36)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117385
PNG
(4-[3-(3-Acetyl-phenyl)-ureido]-3-[4-(4-fluoro-benz...)
Show SMILES CNC(=O)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C30H33FN4O3/c1-20(36)23-4-3-5-27(18-23)33-30(38)34-28-11-8-24(29(37)32-2)17-25(28)19-35-14-12-22(13-15-35)16-21-6-9-26(31)10-7-21/h3-11,17-18,22H,12-16,19H2,1-2H3,(H,32,37)(H2,33,34,38)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117387
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-...)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H30FN3O3/c1-35-27(33)24-8-5-9-26(31-28(34)30-23-6-3-2-4-7-23)25(24)19-32-16-14-21(15-17-32)18-20-10-12-22(29)13-11-20/h2-13,21H,14-19H2,1H3,(H2,30,31,34)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117403
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-[3-...)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H32FN3O4/c1-36-24-6-3-5-23(18-24)31-29(35)32-27-8-4-7-25(28(34)37-2)26(27)19-33-15-13-21(14-16-33)17-20-9-11-22(30)12-10-20/h3-12,18,21H,13-17,19H2,1-2H3,(H2,31,32,35)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117439
PNG
(1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethyl...)
Show SMILES COc1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H32FN3O2/c1-34-26-7-4-6-25(20-26)30-28(33)31-27-8-3-2-5-23(27)15-18-32-16-13-22(14-17-32)19-21-9-11-24(29)12-10-21/h2-12,20,22H,13-19H2,1H3,(H2,30,31,33)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117411
PNG
(4-Benzyl-1-{6-[3-(3-cyano-phenyl)-ureido]-benzo[1,...)
Show SMILES C[N+]1(Cc2cc3OCOc3cc2NC(=O)Nc2cccc(c2)C#N)CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H30N4O3.HI/c1-33(12-10-22(11-13-33)14-21-6-3-2-4-7-21)19-24-16-27-28(36-20-35-27)17-26(24)32-29(34)31-25-9-5-8-23(15-25)18-30;/h2-9,15-17,22H,10-14,19-20H2,1H3,(H-,31,32,34);1H
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117421
PNG
(1-(3-Cyano-phenyl)-3-(2-{2-[4-(4-fluoro-benzyl)-pi...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C28H29FN4O2/c29-23-10-8-20(9-11-23)16-21-12-14-33(15-13-21)19-27(34)25-6-1-2-7-26(25)32-28(35)31-24-5-3-4-22(17-24)18-30/h1-11,17,21,27,34H,12-16,19H2,(H2,31,32,35)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117482
PNG
(1-(3-Cyano-phenyl)-3-(2-{2-[4-(4-fluoro-benzyl)-pi...)
Show SMILES Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Nc3cccc(c3)C#N)CC2)cc1
Show InChI InChI=1S/C28H29FN4O/c29-25-10-8-21(9-11-25)18-22-12-15-33(16-13-22)17-14-24-5-1-2-7-27(24)32-28(34)31-26-6-3-4-23(19-26)20-30/h1-11,19,22H,12-18H2,(H2,31,32,34)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117458
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-(3-...)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C27H28FN3O3/c28-21-11-9-19(10-12-21)17-20-13-15-31(16-14-20)18-24-23(26(32)33)7-4-8-25(24)30-27(34)29-22-5-2-1-3-6-22/h1-12,20H,13-18H2,(H,32,33)(H2,29,30,34)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117480
PNG
(4-Benzyl-1-{2-[3-(3-cyano-phenyl)-ureido]-5-hydrox...)
Show SMILES C[N+]1(Cc2cc(O)ccc2NC(=O)Nc2cccc(c2)C#N)CCC(Cc2ccccc2)CC1 |(6.48,-1.65,;6.08,-.16,;4.76,-.92,;3.43,-.15,;3.45,1.4,;2.12,2.17,;2.13,3.7,;.78,1.42,;.77,-.13,;2.09,-.9,;2.09,-2.45,;.76,-3.21,;.75,-4.74,;-.58,-2.44,;-1.91,-3.2,;-3.25,-2.42,;-4.59,-3.19,;-4.59,-4.74,;-3.26,-5.49,;-1.94,-4.74,;-3.25,-7.04,;-3.23,-8.45,;6.09,1.38,;7.42,2.15,;8.75,1.36,;10.09,2.13,;11.42,1.36,;12.76,2.13,;14.1,1.38,;14.1,-.17,;12.76,-.95,;11.42,-.17,;8.77,-.17,;7.42,-.94,)|
Show InChI InChI=1S/C28H30N4O2/c1-32(14-12-22(13-15-32)16-21-6-3-2-4-7-21)20-24-18-26(33)10-11-27(24)31-28(34)30-25-9-5-8-23(17-25)19-29/h2-11,17-18,22H,12-16,20H2,1H3,(H2-,30,31,33,34)/p+1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117471
PNG
(1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hyd...)
Show SMILES COc1cccc(NC(=O)Nc2ccccc2C(O)CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H32FN3O3/c1-35-24-6-4-5-23(18-24)30-28(34)31-26-8-3-2-7-25(26)27(33)19-32-15-13-21(14-16-32)17-20-9-11-22(29)12-10-20/h2-12,18,21,27,33H,13-17,19H2,1H3,(H2,30,31,34)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117438
PNG
(1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hyd...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C27H30FN3O2/c28-22-12-10-20(11-13-22)18-21-14-16-31(17-15-21)19-26(32)24-8-4-5-9-25(24)30-27(33)29-23-6-2-1-3-7-23/h1-13,21,26,32H,14-19H2,(H2,29,30,33)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117455
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OCCCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H40ClN3O3/c33-29-15-13-28(14-16-29)32(39)18-22-36(23-19-32)21-7-17-31(26-9-3-1-4-10-26,27-11-5-2-6-12-27)25-35-30(38)34-20-8-24-37/h1-6,9-16,37,39H,7-8,17-25H2,(H2,34,35,38)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117478
PNG
(1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethyl...)
Show SMILES Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Nc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C27H29F2N3O/c28-23-7-5-20(6-8-23)19-21-13-16-32(17-14-21)18-15-22-3-1-2-4-26(22)31-27(33)30-25-11-9-24(29)10-12-25/h1-12,21H,13-19H2,(H2,30,31,33)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117401
PNG
(1-(3-Acetyl-phenyl)-3-{6-[4-(4-fluoro-benzyl)-pipe...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cc3OCOc3cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C29H30FN3O4/c1-19(34)22-3-2-4-25(14-22)31-29(35)32-26-16-28-27(36-18-37-28)15-23(26)17-33-11-9-21(10-12-33)13-20-5-7-24(30)8-6-20/h2-8,14-16,21H,9-13,17-18H2,1H3,(H2,31,32,35)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117420
PNG
(4-[3-(3-Acetyl-phenyl)-ureido]-3-[4-(4-fluoro-benz...)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C30H32FN3O4/c1-20(35)23-4-3-5-27(18-23)32-30(37)33-28-11-8-24(29(36)38-2)17-25(28)19-34-14-12-22(13-15-34)16-21-6-9-26(31)10-7-21/h3-11,17-18,22H,12-16,19H2,1-2H3,(H2,32,33,37)
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117407
PNG
(1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-4-...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(CO)cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H32FN3O3/c1-35-26-4-2-3-25(17-26)30-28(34)31-27-10-7-22(19-33)16-23(27)18-32-13-11-21(12-14-32)15-20-5-8-24(29)9-6-20/h2-10,16-17,21,33H,11-15,18-19H2,1H3,(H2,30,31,34)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117442
PNG
(1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]...)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1NC(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C28H30N4O2/c29-19-23-9-6-10-24(18-23)30-28(34)31-26-12-5-4-11-25(26)27(33)20-32-15-13-22(14-16-32)17-21-7-2-1-3-8-21/h1-12,18,22,27,33H,13-17,20H2,(H2,30,31,34)
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117427
PNG
(1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-3-...)
Show SMILES OCc1cccc(NC(=O)Nc2ccccc2)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C27H30FN3O2/c28-23-11-9-20(10-12-23)17-21-13-15-31(16-14-21)18-25-22(19-32)5-4-8-26(25)30-27(33)29-24-6-2-1-3-7-24/h1-12,21,32H,13-19H2,(H2,29,30,33)
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117435
PNG
(1-(3-Cyano-phenyl)-3-{2-[4-(4-fluoro-benzyl)-piper...)
Show SMILES OCc1ccc(NC(=O)Nc2cccc(c2)C#N)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H29FN4O2/c29-25-7-4-20(5-8-25)14-21-10-12-33(13-11-21)18-24-15-23(19-34)6-9-27(24)32-28(35)31-26-3-1-2-22(16-26)17-30/h1-9,15-16,21,34H,10-14,18-19H2,(H2,31,32,35)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117428
PNG
(3-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-4-[3-...)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C29H32FN3O4/c1-36-26-5-3-4-25(18-26)31-29(35)32-27-11-8-22(28(34)37-2)17-23(27)19-33-14-12-21(13-15-33)16-20-6-9-24(30)10-7-20/h3-11,17-18,21H,12-16,19H2,1-2H3,(H2,31,32,35)
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n/an/a 64n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117391
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES CN(C)CCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H43ClN4O2/c1-37(2)25-21-35-31(39)36-26-32(27-10-5-3-6-11-27,28-12-7-4-8-13-28)18-9-22-38-23-19-33(40,20-24-38)29-14-16-30(34)17-15-29/h3-8,10-17,40H,9,18-26H2,1-2H3,(H2,35,36,39)
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n/an/a 67n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117416
PNG
(4-[3-(3-Cyano-phenyl)-ureido]-3-[4-(4-fluoro-benzy...)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2cccc(c2)C#N)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C29H29FN4O3/c1-37-28(35)23-7-10-27(33-29(36)32-26-4-2-3-22(16-26)18-31)24(17-23)19-34-13-11-21(12-14-34)15-20-5-8-25(30)9-6-20/h2-10,16-17,21H,11-15,19H2,1H3,(H2,32,33,36)
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n/an/a 67n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117386
PNG
(1-tert-Butyl-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-p...)
Show SMILES CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H42ClN3O2/c1-31(2,3)36-30(38)35-25-32(26-11-6-4-7-12-26,27-13-8-5-9-14-27)19-10-22-37-23-20-33(39,21-24-37)28-15-17-29(34)18-16-28/h4-9,11-18,39H,10,19-25H2,1-3H3,(H2,35,36,38)
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n/an/a 71n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117388
PNG
(1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]...)
Show SMILES COc1cccc(NC(=O)Nc2ccccc2C(O)CN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C28H33N3O3/c1-34-24-11-7-10-23(19-24)29-28(33)30-26-13-6-5-12-25(26)27(32)20-31-16-14-22(15-17-31)18-21-8-3-2-4-9-21/h2-13,19,22,27,32H,14-18,20H2,1H3,(H2,29,30,33)
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n/an/a 81n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117462
PNG
(1-(3-Cyano-phenyl)-3-{6-[4-(4-fluoro-benzyl)-piper...)
Show SMILES Fc1ccc(CC2CCN(Cc3cc4OCOc4cc3NC(=O)Nc3cccc(c3)C#N)CC2)cc1
Show InChI InChI=1S/C28H27FN4O3/c29-23-6-4-19(5-7-23)12-20-8-10-33(11-9-20)17-22-14-26-27(36-18-35-26)15-25(22)32-28(34)31-24-3-1-2-21(13-24)16-30/h1-7,13-15,20H,8-12,17-18H2,(H2,31,32,34)
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n/an/a 85n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117476
PNG
(1-[2-(4-Benzyl-piperidin-1-ylmethyl)-5-hydroxymeth...)
Show SMILES OCc1ccc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)Nc2cccc(c2)C#N)c1
Show InChI InChI=1S/C28H30N4O2/c29-18-23-7-4-8-26(16-23)30-28(34)31-27-17-24(20-33)9-10-25(27)19-32-13-11-22(12-14-32)15-21-5-2-1-3-6-21/h1-10,16-17,22,33H,11-15,19-20H2,(H2,30,31,34)
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n/an/a 114n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117413
PNG
(1-(3-Acetyl-phenyl)-3-{2-[4-(4-fluoro-benzyl)-pipe...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H30FN3O2/c1-20(33)23-6-4-7-26(18-23)30-28(34)31-27-8-3-2-5-24(27)19-32-15-13-22(14-16-32)17-21-9-11-25(29)12-10-21/h2-12,18,22H,13-17,19H2,1H3,(H2,30,31,34)
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n/an/a 125n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117402
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(CNC(=O)NCC2CCCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H46ClN3O2/c37-33-19-17-32(18-20-33)36(42)22-25-40(26-23-36)24-10-21-35(30-13-6-2-7-14-30,31-15-8-3-9-16-31)28-39-34(41)38-27-29-11-4-1-5-12-29/h2-3,6-9,13-20,29,42H,1,4-5,10-12,21-28H2,(H2,38,39,41)
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n/an/a 125n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117433
PNG
(1-{2-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-phenyl}-3...)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccccc1CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H30N4O/c29-21-24-9-6-11-26(20-24)30-28(33)31-27-12-5-4-10-25(27)15-18-32-16-13-23(14-17-32)19-22-7-2-1-3-8-22/h1-12,20,23H,13-19H2,(H2,30,31,33)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117417
PNG
(1-{6-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-be...)
Show SMILES COc1cccc(NC(=O)Nc2cc3OCOc3cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C28H30FN3O4/c1-34-24-4-2-3-23(15-24)30-28(33)31-25-16-27-26(35-18-36-27)14-21(25)17-32-11-9-20(10-12-32)13-19-5-7-22(29)8-6-19/h2-8,14-16,20H,9-13,17-18H2,1H3,(H2,30,31,33)
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n/an/a 141n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117473
PNG
(CHEMBL409001 | N-(2-{2-[4-(4-Fluoro-benzyl)-piperi...)
Show SMILES Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-25-9-5-21(6-10-25)19-23-13-16-32(17-14-23)18-15-24-3-1-2-4-27(24)31-28(33)20-22-7-11-26(30)12-8-22/h1-12,23H,13-20H2,(H,31,33)
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n/an/a 153n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117456
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(CCN(CCCC(CNC(=O)Nc2ccncc2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H37ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-17,21-22,41H,7,18-20,23-26H2,(H2,36,37,38,40)
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n/an/a 167n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117426
PNG
(1-{2-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-phenyl}-3...)
Show SMILES COc1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C28H33N3O2/c1-33-26-12-7-11-25(21-26)29-28(32)30-27-13-6-5-10-24(27)16-19-31-17-14-23(15-18-31)20-22-8-3-2-4-9-22/h2-13,21,23H,14-20H2,1H3,(H2,29,30,32)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117396
PNG
(1-(3-Acetyl-phenyl)-3-[6-(4-benzyl-piperidin-1-ylm...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cc3OCOc3cc2CN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C29H31N3O4/c1-20(33)23-8-5-9-25(15-23)30-29(34)31-26-17-28-27(35-19-36-28)16-24(26)18-32-12-10-22(11-13-32)14-21-6-3-2-4-7-21/h2-9,15-17,22H,10-14,18-19H2,1H3,(H2,30,31,34)
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117443
PNG
(1-[6-(4-Benzyl-piperidin-1-ylmethyl)-benzo[1,3]dio...)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1cc2OCOc2cc1CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c29-17-22-7-4-8-24(14-22)30-28(33)31-25-16-27-26(34-19-35-27)15-23(25)18-32-11-9-21(10-12-32)13-20-5-2-1-3-6-20/h1-8,14-16,21H,9-13,18-19H2,(H2,30,31,33)
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n/an/a 237n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117400
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OCCCCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H42ClN3O3/c34-30-16-14-29(15-17-30)33(40)19-23-37(24-20-33)22-9-18-32(27-10-3-1-4-11-27,28-12-5-2-6-13-28)26-36-31(39)35-21-7-8-25-38/h1-6,10-17,38,40H,7-9,18-26H2,(H2,35,36,39)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117384
PNG
(1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]...)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C27H31N3O2/c31-26(20-30-17-15-22(16-18-30)19-21-9-3-1-4-10-21)24-13-7-8-14-25(24)29-27(32)28-23-11-5-2-6-12-23/h1-14,22,26,31H,15-20H2,(H2,28,29,32)
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n/an/a 249n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
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