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PubMed code 23659855

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 1


(Homo sapiens (Human))
BDBM50430274
PNG
(CHEMBL2332935)
Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430280
PNG
(CHEMBL2332936)
Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27FN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435690
PNG
(CHEMBL2391803)
Show SMILES O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30Cl2N2O6/c27-17-1-2-23-16(9-17)12-26(36-23)4-7-29(8-5-26)13-19(32)15-35-24-11-22(33)21(28)10-20(24)25(34)30-6-3-18(31)14-30/h1-2,9-11,18-19,31-33H,3-8,12-15H2/t18-,19-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435689
PNG
(CHEMBL2391810)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCC(O)CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C27H33ClN2O6/c28-19-1-4-24-18(13-19)15-27(36-24)7-11-29(12-8-27)16-22(33)17-35-25-14-21(32)2-3-23(25)26(34)30-9-5-20(31)6-10-30/h1-4,13-14,20,22,31-33H,5-12,15-17H2/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435688
PNG
(CHEMBL2391797)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-30(2)21-7-10-32(16-21)27(35)24-5-4-22(33)14-26(24)36-18-23(34)17-31-11-8-28(9-12-31)15-19-13-20(29)3-6-25(19)37-28/h3-6,13-14,21,23,33-34H,7-12,15-18H2,1-2H3/t21-,23+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435673
PNG
(CHEMBL2391795)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O5/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-28(10-8-25)14-20(30)15-32-23-12-19(29)4-5-21(23)24(31)27-18-2-3-18/h1,4-6,11-12,18,20,29-30H,2-3,7-10,13-15H2,(H,27,31)/t20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435687
PNG
(CHEMBL2391939)
Show SMILES O[C@H](COc1cc(F)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H28ClFN2O4/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-29(10-8-25)14-20(30)15-32-23-12-18(27)2-5-21(23)24(31)28-19-3-4-19/h1-2,5-6,11-12,19-20,30H,3-4,7-10,13-15H2,(H,28,31)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435686
PNG
(CHEMBL2391808)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O5/c27-19-3-6-23-18(13-19)15-26(34-23)7-11-28(12-8-26)16-21(31)17-33-24-14-20(30)4-5-22(24)25(32)29-9-1-2-10-29/h3-6,13-14,21,30-31H,1-2,7-12,15-17H2/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435671
PNG
(CHEMBL2391793)
Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27ClN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435666
PNG
(CHEMBL2391804)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435668
PNG
(CHEMBL2391800)
Show SMILES O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30ClFN2O5/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-29(10-7-26)14-21(32)16-34-24-12-19(28)2-3-22(24)25(33)30-8-5-20(31)15-30/h1-4,11-12,20-21,31-32H,5-10,13-16H2/t20-,21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435676
PNG
(CHEMBL2391938)
Show SMILES COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r|
Show InChI InChI=1S/C26H31ClN2O5/c1-32-21-5-6-22(25(31)28-19-3-4-19)24(13-21)33-16-20(30)15-29-10-8-26(9-11-29)14-17-12-18(27)2-7-23(17)34-26/h2,5-7,12-13,19-20,30H,3-4,8-11,14-16H2,1H3,(H,28,31)/t20-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435685
PNG
(CHEMBL2391937)
Show SMILES O[C@H](COc1ccccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O4/c26-18-5-8-22-17(13-18)14-25(32-22)9-11-28(12-10-25)15-20(29)16-31-23-4-2-1-3-21(23)24(30)27-19-6-7-19/h1-5,8,13,19-20,29H,6-7,9-12,14-16H2,(H,27,30)/t20-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435684
PNG
(CHEMBL2391794)
Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27FN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435683
PNG
(CHEMBL2391799)
Show SMILES Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r|
Show InChI InChI=1S/C27H33ClN2O5/c1-18-2-4-23(26(33)30-9-6-21(31)16-30)25(12-18)34-17-22(32)15-29-10-7-27(8-11-29)14-19-13-20(28)3-5-24(19)35-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435669
PNG
(CHEMBL2391809)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C27H33ClN2O5/c28-20-4-7-24-19(14-20)16-27(35-24)8-12-29(13-9-27)17-22(32)18-34-25-15-21(31)5-6-23(25)26(33)30-10-2-1-3-11-30/h4-7,14-15,22,31-32H,1-3,8-13,16-18H2/t22-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435667
PNG
(CHEMBL2391796)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435682
PNG
(CHEMBL2391806)
Show SMILES CO[C@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C27H33ClN2O6/c1-34-22-6-9-30(16-22)26(33)23-4-3-20(31)13-25(23)35-17-21(32)15-29-10-7-27(8-11-29)14-18-12-19(28)2-5-24(18)36-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435681
PNG
(CHEMBL2391798)
Show SMILES Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(Cc4cc(F)ccc4O3)CC2)c1 |r|
Show InChI InChI=1S/C27H33FN2O5/c1-18-2-4-23(26(33)30-9-6-21(31)16-30)25(12-18)34-17-22(32)15-29-10-7-27(8-11-29)14-19-13-20(28)3-5-24(19)35-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435679
PNG
(CHEMBL2391802)
Show SMILES O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30F2N2O5/c27-18-2-4-23-17(11-18)13-26(35-23)6-9-29(10-7-26)14-21(32)16-34-24-12-19(28)1-3-22(24)25(33)30-8-5-20(31)15-30/h1-4,11-12,20-21,31-32H,5-10,13-16H2/t20-,21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435680
PNG
(CHEMBL2391812)
Show SMILES OCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C24H29ClN2O6/c25-17-1-4-21-16(11-17)13-24(33-21)5-8-27(9-6-24)14-19(30)15-32-22-12-18(29)2-3-20(22)23(31)26-7-10-28/h1-4,11-12,19,28-30H,5-10,13-15H2,(H,26,31)/t19-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435678
PNG
(CHEMBL2391811)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCOCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O6/c27-19-1-4-23-18(13-19)15-26(35-23)5-7-28(8-6-26)16-21(31)17-34-24-14-20(30)2-3-22(24)25(32)29-9-11-33-12-10-29/h1-4,13-14,21,30-31H,5-12,15-17H2/t21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435677
PNG
(CHEMBL2391935)
Show SMILES CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H32ClN3O6/c1-17(31)28-8-9-29-25(34)22-4-3-20(32)13-24(22)35-16-21(33)15-30-10-6-26(7-11-30)14-18-12-19(27)2-5-23(18)36-26/h2-5,12-13,21,32-33H,6-11,14-16H2,1H3,(H,28,31)(H,29,34)/t21-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435676
PNG
(CHEMBL2391938)
Show SMILES COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r|
Show InChI InChI=1S/C26H31ClN2O5/c1-32-21-5-6-22(25(31)28-19-3-4-19)24(13-21)33-16-20(30)15-29-10-8-26(9-11-29)14-17-12-18(27)2-7-23(17)34-26/h2,5-7,12-13,19-20,30H,3-4,8-11,14-16H2,1H3,(H,28,31)/t20-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435675
PNG
(CHEMBL2391807)
Show SMILES CC(=O)N[C@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C28H34ClN3O6/c1-18(33)30-21-6-9-32(15-21)27(36)24-4-3-22(34)13-26(24)37-17-23(35)16-31-10-7-28(8-11-31)14-19-12-20(29)2-5-25(19)38-28/h2-5,12-13,21,23,34-35H,6-11,14-17H2,1H3,(H,30,33)/t21-,23-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435674
PNG
(CHEMBL2391805)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-30(2)21-7-10-32(16-21)27(35)24-5-4-22(33)14-26(24)36-18-23(34)17-31-11-8-28(9-12-31)15-19-13-20(29)3-6-25(19)37-28/h3-6,13-14,21,23,33-34H,7-12,15-18H2,1-2H3/t21-,23-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435673
PNG
(CHEMBL2391795)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O5/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-28(10-8-25)14-20(30)15-32-23-12-19(29)4-5-21(23)24(31)27-18-2-3-18/h1,4-6,11-12,18,20,29-30H,2-3,7-10,13-15H2,(H,27,31)/t20-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435672
PNG
(CHEMBL2391801)
Show SMILES O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3ccccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31FN2O5/c27-19-5-6-22(25(32)29-10-7-20(30)16-29)24(13-19)33-17-21(31)15-28-11-8-26(9-12-28)14-18-3-1-2-4-23(18)34-26/h1-6,13,20-21,30-31H,7-12,14-17H2/t20-,21-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435671
PNG
(CHEMBL2391793)
Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27ClN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435670
PNG
(CHEMBL2391936)
Show SMILES NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C24H30ClN3O5/c25-17-1-4-21-16(11-17)13-24(33-21)5-9-28(10-6-24)14-19(30)15-32-22-12-18(29)2-3-20(22)23(31)27-8-7-26/h1-4,11-12,19,29-30H,5-10,13-15,26H2,(H,27,31)/t19-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435690
PNG
(CHEMBL2391803)
Show SMILES O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30Cl2N2O6/c27-17-1-2-23-16(9-17)12-26(36-23)4-7-29(8-5-26)13-19(32)15-35-24-11-22(33)21(28)10-20(24)25(34)30-6-3-18(31)14-30/h1-2,9-11,18-19,31-33H,3-8,12-15H2/t18-,19-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435684
PNG
(CHEMBL2391794)
Show SMILES CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27FN2O5/c1-25-22(29)19-4-3-17(27)11-21(19)30-14-18(28)13-26-8-6-23(7-9-26)12-15-10-16(24)2-5-20(15)31-23/h2-5,10-11,18,27-28H,6-9,12-14H2,1H3,(H,25,29)/t18-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435669
PNG
(CHEMBL2391809)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CCCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C27H33ClN2O5/c28-20-4-7-24-19(14-20)16-27(35-24)8-12-29(13-9-27)17-22(32)18-34-25-15-21(31)5-6-23(25)26(33)30-10-2-1-3-11-30/h4-7,14-15,22,31-32H,1-3,8-13,16-18H2/t22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435668
PNG
(CHEMBL2391800)
Show SMILES O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30ClFN2O5/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-29(10-7-26)14-21(32)16-34-24-12-19(28)2-3-22(24)25(33)30-8-5-20(31)15-30/h1-4,11-12,20-21,31-32H,5-10,13-16H2/t20-,21-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435667
PNG
(CHEMBL2391796)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435666
PNG
(CHEMBL2391804)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/m0/s1
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%