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PubMed code 15664858

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))		BDBM50160450
PNG
(1-{(S)-1-[2-(3-Chloro-phenyl)-ethyl]-piperidin-3-y...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3cccc(Cl)c3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32ClN7O/c1-3-18-12-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-7-5-10-33(17-20)11-9-19-6-4-8-22(26)13-19/h4,6,8,12-15,20H,3,5,7,9-11,16-17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160449
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CCC2(C)C)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-5-19-14-21(25-31-32-33-34(25)4)16-24(15-19)30-26(36)29-17-22-18-35(13-11-27(22,2)3)12-10-20-6-8-23(28)9-7-20/h6-9,14-16,22H,5,10-13,17-18H2,1-4H3,(H2,29,30,36)/t22-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160459
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)N[C@@H]2CCCN(CCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-14-20(24-29-30-31-32(24)2)16-23(15-18)28-25(34)27-22-7-5-13-33(17-22)12-4-6-19-8-10-21(26)11-9-19/h8-11,14-16,22H,3-7,12-13,17H2,1-2H3,(H2,27,28,34)/t22-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160462
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-4-19-13-21(25-30-31-32-33(25)3)15-24(14-19)29-26(35)28-16-22-17-34(11-9-18(22)2)12-10-20-5-7-23(27)8-6-20/h5-8,13-15,18,22H,4,9-12,16-17H2,1-3H3,(H2,28,29,35)/t18-,22-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160482
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CCCN(CCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-5-4-11-33(17-20)12-10-19-6-8-22(26)9-7-19/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,27,28,34)/t20-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160453
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C(C)C)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C28H38FN7O/c1-5-20-14-22(27-32-33-34-35(27)4)16-25(15-20)31-28(37)30-17-23-18-36(13-11-26(23)19(2)3)12-10-21-6-8-24(29)9-7-21/h6-9,14-16,19,23,26H,5,10-13,17-18H2,1-4H3,(H2,30,31,37)/t23-,26+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160468
PNG
(1-{(S)-1-[2-(2,4-Difluoro-phenyl)-ethyl]-piperidin...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(F)cc3F)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H31F2N7O/c1-3-17-11-20(24-30-31-32-33(24)2)13-22(12-17)29-25(35)28-15-18-5-4-9-34(16-18)10-8-19-6-7-21(26)14-23(19)27/h6-7,11-14,18H,3-5,8-10,15-16H2,1-2H3,(H2,28,29,35)/t18-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160470
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-3-19-14-22(25-30-31-32-33(25)2)16-24(15-19)29-26(35)28-17-21-7-5-13-34(18-21)12-4-6-20-8-10-23(27)11-9-20/h8-11,14-16,21H,3-7,12-13,17-18H2,1-2H3,(H2,28,29,35)/t21-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160481
PNG
(1-{(3S,4S)-4-Ethyl-1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES CC[C@H]1CCN(CCc2ccc(F)cc2)C[C@@H]1CNC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-4-19-14-22(26-31-32-33-34(26)3)16-25(15-19)30-27(36)29-17-23-18-35(13-11-21(23)5-2)12-10-20-6-8-24(28)9-7-20/h6-9,14-16,21,23H,4-5,10-13,17-18H2,1-3H3,(H2,29,30,36)/t21-,23-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160476
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CCCN(CCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-3-19-14-22(25-30-31-32-33(25)2)16-24(15-19)29-26(35)28-17-21-7-5-13-34(18-21)12-4-6-20-8-10-23(27)11-9-20/h8-11,14-16,21H,3-7,12-13,17-18H2,1-2H3,(H2,28,29,35)/t21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160473
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C(F)(F)F)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H31F4N7O/c1-3-17-12-19(24-33-34-35-36(24)2)14-22(13-17)32-25(38)31-15-20-16-37(11-9-23(20)26(28,29)30)10-8-18-4-6-21(27)7-5-18/h4-7,12-14,20,23H,3,8-11,15-16H2,1-2H3,(H2,31,32,38)/t20-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160455
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2c2ccccc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C31H36FN7O/c1-3-22-17-25(30-35-36-37-38(30)2)19-28(18-22)34-31(40)33-20-26-21-39(15-13-23-9-11-27(32)12-10-23)16-14-29(26)24-7-5-4-6-8-24/h4-12,17-19,26,29H,3,13-16,20-21H2,1-2H3,(H2,33,34,40)/t26-,29+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160472
PNG
(1-{(S)-1-[2-(3,4-Difluoro-phenyl)-ethyl]-piperidin...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(F)c(F)c3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H31F2N7O/c1-3-17-11-20(24-30-31-32-33(24)2)14-21(12-17)29-25(35)28-15-19-5-4-9-34(16-19)10-8-18-6-7-22(26)23(27)13-18/h6-7,11-14,19H,3-5,8-10,15-16H2,1-2H3,(H2,28,29,35)/t19-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160457
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-5-4-11-33(17-20)12-10-19-6-8-22(26)9-7-19/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160457
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-5-4-11-33(17-20)12-10-19-6-8-22(26)9-7-19/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160464
PNG
(1-{(S)-1-[2-(4-Chloro-phenyl)-ethyl]-piperidin-3-y...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32ClN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-5-4-11-33(17-20)12-10-19-6-8-22(26)9-7-19/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160447
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccccc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H33N7O/c1-3-19-14-22(24-28-29-30-31(24)2)16-23(15-19)27-25(33)26-17-21-10-7-12-32(18-21)13-11-20-8-5-4-6-9-20/h4-6,8-9,14-16,21H,3,7,10-13,17-18H2,1-2H3,(H2,26,27,33)/t21-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160463
PNG
(1-{(S)-1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-3-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C23H28FN7O/c1-30-22(27-28-29-30)19-5-2-6-21(14-19)26-23(32)25-15-18-4-3-12-31(16-18)13-11-17-7-9-20(24)10-8-17/h2,5-10,14,18H,3-4,11-13,15-16H2,1H3,(H2,25,26,32)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160469
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccccc3F)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-22(14-18)28-25(34)27-16-19-7-6-11-33(17-19)12-10-20-8-4-5-9-23(20)26/h4-5,8-9,13-15,19H,3,6-7,10-12,16-17H2,1-2H3,(H2,27,28,34)/t19-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160458
PNG
(1-{(S)-1-[2-(2,4-Dichloro-phenyl)-ethyl]-piperidin...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(Cl)cc3Cl)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H31Cl2N7O/c1-3-17-11-20(24-30-31-32-33(24)2)13-22(12-17)29-25(35)28-15-18-5-4-9-34(16-18)10-8-19-6-7-21(26)14-23(19)27/h6-7,11-14,18H,3-5,8-10,15-16H2,1-2H3,(H2,28,29,35)/t18-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160456
PNG
(1-{(S)-1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-3-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(CCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C23H28FN7O/c1-30-22(27-28-29-30)19-5-2-6-21(14-19)26-23(32)25-15-18-4-3-12-31(16-18)13-11-17-7-9-20(24)10-8-17/h2,5-10,14,18H,3-4,11-13,15-16H2,1H3,(H2,25,26,32)
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n/an/a 6n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160466
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)N[C@@H]2CCCN(CCCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-3-19-15-21(25-30-31-32-33(25)2)17-24(16-19)29-26(35)28-23-8-6-14-34(18-23)13-5-4-7-20-9-11-22(27)12-10-20/h9-12,15-17,23H,3-8,13-14,18H2,1-2H3,(H2,28,29,35)/t23-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160454
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(C)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H35N7O/c1-4-20-14-23(25-29-30-31-32(25)3)16-24(15-20)28-26(34)27-17-22-6-5-12-33(18-22)13-11-21-9-7-19(2)8-10-21/h7-10,14-16,22H,4-6,11-13,17-18H2,1-3H3,(H2,27,28,34)/t22-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160474
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3cccc(F)c3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-12-21(24-29-30-31-32(24)2)15-23(14-18)28-25(34)27-16-20-7-5-10-33(17-20)11-9-19-6-4-8-22(26)13-19/h4,6,8,12-15,20H,3,5,7,9-11,16-17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160452
PNG
(1-{(R)-1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-3-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NC[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C23H28FN7O/c1-30-22(27-28-29-30)19-5-2-6-21(14-19)26-23(32)25-15-18-4-3-12-31(16-18)13-11-17-7-9-20(24)10-8-17/h2,5-10,14,18H,3-4,11-13,15-16H2,1H3,(H2,25,26,32)/t18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160478
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)N[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C24H30FN7O/c1-3-17-13-19(23-28-29-30-31(23)2)15-22(14-17)27-24(33)26-21-5-4-11-32(16-21)12-10-18-6-8-20(25)9-7-18/h6-9,13-15,21H,3-5,10-12,16H2,1-2H3,(H2,26,27,33)/t21-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160479
PNG
(1-{(R)-1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-3-...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NC[C@H]2CCCN(CCCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-7-2-8-22(15-20)27-24(33)26-16-19-6-4-14-32(17-19)13-3-5-18-9-11-21(25)12-10-18/h2,7-12,15,19H,3-6,13-14,16-17H2,1H3,(H2,26,27,33)/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160451
PNG
(1-{(S)-1-[4-(4-Fluoro-phenyl)-butyl]-piperidin-3-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(CCCCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C25H32FN7O/c1-32-24(29-30-31-32)21-8-4-9-23(16-21)28-25(34)27-17-20-7-5-15-33(18-20)14-3-2-6-19-10-12-22(26)13-11-19/h4,8-13,16,20H,2-3,5-7,14-15,17-18H2,1H3,(H2,27,28,34)
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n/an/a 29n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160460
PNG
(1-{(S)-1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-3-...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(CCCc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-7-2-8-22(15-20)27-24(33)26-16-19-6-4-14-32(17-19)13-3-5-18-9-11-21(25)12-10-18/h2,7-12,15,19H,3-6,13-14,16-17H2,1H3,(H2,26,27,33)
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n/an/a 36n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160448
PNG
(1-[1-(4-Fluoro-benzyl)-piperidin-4-ylmethyl]-3-[3-...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C22H26FN7O/c1-29-21(26-27-28-29)18-3-2-4-20(13-18)25-22(31)24-14-16-9-11-30(12-10-16)15-17-5-7-19(23)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,24,25,31)
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n/an/a 54n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160471
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(cc3)C(F)(F)F)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H32F3N7O/c1-3-18-13-21(24-32-33-34-35(24)2)15-23(14-18)31-25(37)30-16-20-5-4-11-36(17-20)12-10-19-6-8-22(9-7-19)26(27,28)29/h6-9,13-15,20H,3-5,10-12,16-17H2,1-2H3,(H2,30,31,37)/t20-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160475
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H35N7O2/c1-4-19-14-22(25-29-30-31-32(25)2)16-23(15-19)28-26(34)27-17-21-6-5-12-33(18-21)13-11-20-7-9-24(35-3)10-8-20/h7-10,14-16,21H,4-6,11-13,17-18H2,1-3H3,(H2,27,28,34)/t21-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160467
PNG
(1-{1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-4-ylme...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(CCCc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-5-2-6-22(16-20)27-24(33)26-17-19-11-14-32(15-12-19)13-3-4-18-7-9-21(25)10-8-18/h2,5-10,16,19H,3-4,11-15,17H2,1H3,(H2,26,27,33)
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n/an/a 230n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160465
PNG
(1-{1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ylmet...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(CCc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C23H28FN7O/c1-30-22(27-28-29-30)19-3-2-4-21(15-19)26-23(32)25-16-18-10-13-31(14-11-18)12-9-17-5-7-20(24)8-6-17/h2-8,15,18H,9-14,16H2,1H3,(H2,25,26,32)
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n/an/a 350n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160461
PNG
(1-{(S)-1-[2-(4-Dimethylamino-phenyl)-ethyl]-piperi...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(cc3)N(C)C)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H38N8O/c1-5-20-15-23(26-30-31-32-34(26)4)17-24(16-20)29-27(36)28-18-22-7-6-13-35(19-22)14-12-21-8-10-25(11-9-21)33(2)3/h8-11,15-17,22H,5-7,12-14,18-19H2,1-4H3,(H2,28,29,36)/t22-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50160477
PNG
(1-[(S)-1-(4-Fluoro-benzyl)-piperidin-3-ylmethyl]-3...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C22H26FN7O/c1-29-21(26-27-28-29)18-5-2-6-20(12-18)25-22(31)24-13-17-4-3-11-30(15-17)14-16-7-9-19(23)10-8-16/h2,5-10,12,17H,3-4,11,13-15H2,1H3,(H2,24,25,31)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells

Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%