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Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P61814   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143736
PNG
((2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234728
PNG
((2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(p...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3
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n/an/a 0.800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234732
PNG
((2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143757
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-me...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143756
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-...)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3
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n/an/a 2.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143734
PNG
(3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143740
PNG
((4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methy...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234726
PNG
((3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(p...)
Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143750
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234730
PNG
((4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidi...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234725
PNG
((3,5-dichloro-1-oxy-pyridin-4-yl)-[4'-methyl-4-(ph...)
Show SMILES CC1(CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C28H31Cl2N5O2/c1-28(11-16-32(17-12-28)27(36)26-24(29)19-34(37)20-25(26)30)33-14-9-22(10-15-33)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3
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n/an/a 4.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143743
PNG
(CHEMBL61536 | [4-(Benzyl-phenyl-amino)-4'-methyl-[...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3
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n/an/a 5.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234723
PNG
((2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(ph...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
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n/an/a 8.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234731
PNG
((2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C31H38N4O/c1-24-8-7-9-25(2)29(24)30(36)33-22-16-31(3,17-23-33)34-20-14-28(15-21-34)35(26-10-5-4-6-11-26)27-12-18-32-19-13-27/h4-13,18-19,28H,14-17,20-23H2,1-3H3
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n/an/a 9.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234729
PNG
((2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(ph...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50143741
PNG
((4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylami...)
Show SMILES Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234724
PNG
((4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidi...)
Show SMILES Cc1cccnc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H35N5O/c1-23-8-6-17-31-27(23)28(35)32-20-14-29(2,15-21-32)33-18-12-25(13-19-33)34(24-9-4-3-5-10-24)26-11-7-16-30-22-26/h3-11,16-17,22,25H,12-15,18-21H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234723
PNG
((2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(ph...)
Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
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n/an/a 64n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at cynomolgus monkey CCR5 expressed in CHO cells assessed as MIP-1-alpha-induced Ca2+ mobilization


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Macaca fascicularis)
BDBM50234727
PNG
(2,4-dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[(2-...)
Show SMILES Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1
Show InChI InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3
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n/an/a 107n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells


Bioorg Med Chem Lett 18: 2000-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.108
BindingDB Entry DOI: 10.7270/Q2NC6229
More data for this
Ligand-Target Pair