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Compile Data Set for Download or QSAR

Found 1067 hits of ic50 data for polymerid = 5596   
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))
BDBM392076
PNG
(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
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n/an/a 0.0810n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 receptor after 120 mins by scintillation counting analysis


Bioorg Med Chem Lett 28: 1446-1455 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.093
BindingDB Entry DOI: 10.7270/Q27W6FPC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174708
PNG
(CHEMBL197375 | N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C24H27ClFN3O2/c1-16-14-29(17(2)13-28(16)15-19-4-9-22(26)10-5-19)24(31)11-7-20-6-8-21(25)12-23(20)27-18(3)30/h4-12,16-17H,13-15H2,1-3H3,(H,27,30)/b11-7+/t16-,17+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508208
PNG
(CHEMBL4457209)
Show SMILES CCC(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508182
PNG
(CHEMBL4475581)
Show SMILES CCCC(NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN5O3S/c1-3-4-20(15-9-10-26-22(11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-7-5-16(24)6-8-17/h5-14,20H,3-4H2,1-2H3,(H,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430275
PNG
(CHEMBL2332933)
Show SMILES CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H26F2N2O4/c1-15(28)26-20-4-2-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)3-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
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))
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
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174703
PNG
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O
Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
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
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
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))
BDBM50445002
PNG
(CHEMBL3099947)
Show SMILES O[C@H](COc1cc(O)ccc1NC(=O)NC1CC1)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H30FN3O5/c26-17-1-6-22-16(11-17)13-25(34-22)7-9-29(10-8-25)14-20(31)15-33-23-12-19(30)4-5-21(23)28-24(32)27-18-2-3-18/h1,4-6,11-12,18,20,30-31H,2-3,7-10,13-15H2,(H2,27,28,32)/t20-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis


Bioorg Med Chem Lett 24: 108-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.062
BindingDB Entry DOI: 10.7270/Q28K7BJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430286
PNG
(CHEMBL2332931)
Show SMILES CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H26ClFN2O4/c1-15(28)26-20-4-3-18(25)11-22(20)30-14-19(29)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,29H,6-9,12-14H2,1H3,(H,26,28)/t19-/m0/s1
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n/an/a 0.640n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM102335
PNG
(US8536198, 106)
Show SMILES C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O |r|
Show InChI InChI=1S/C26H40ClN3O4/c1-17(25(4,5)33)28-23(32)29-21-9-7-6-8-20(21)22(31)30-15-14-26(34,24(2,3)16-30)18-10-12-19(27)13-11-18/h10-13,17,20-21,33-34H,6-9,14-16H2,1-5H3,(H2,28,29,32)/t17-,20-,21+,26-/m0/s1
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
CCR1 ligand binding using scintillation proximity assay (SPA).


US Patent US8536198 (2013)


BindingDB Entry DOI: 10.7270/Q2HT2MZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 0.730n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430285
PNG
(CHEMBL2332940)
Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H28ClN3O4/c1-15(28)26-20-4-3-19(29)11-22(20)30-14-18(25)13-27-8-6-23(7-9-27)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,18,29H,6-9,12-14,25H2,1H3,(H,26,28)/t18-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50427065
PNG
(CHEMBL2322875)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O2/c1-11-16(20)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(19)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL5/RANTES-induced chemotaxis


Bioorg Med Chem Lett 23: 1228-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.005
BindingDB Entry DOI: 10.7270/Q2NZ88Z2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50518185
PNG
(CHEMBL4571977)
Show SMILES CC(C)(O)c1ccc2OCc3ncccc3\C(=C\CCN3CC[C@](O)(c4ccc(Cl)cc4)C(C)(C)C3)c2c1 |r|
Show InChI InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8-/t32-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 435-440 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.015
BindingDB Entry DOI: 10.7270/Q2D79FSV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436256
PNG
(CHEMBL2398726)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436283
PNG
(CHEMBL2398729)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19+,20-,24+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50445004
PNG
(CHEMBL3099945)
Show SMILES O[C@H](COc1cc(O)ccc1NC(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H30ClN3O5/c26-17-1-6-22-16(11-17)13-25(34-22)7-9-29(10-8-25)14-20(31)15-33-23-12-19(30)4-5-21(23)28-24(32)27-18-2-3-18/h1,4-6,11-12,18,20,30-31H,2-3,7-10,13-15H2,(H2,27,28,32)/t20-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis


Bioorg Med Chem Lett 24: 108-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.062
BindingDB Entry DOI: 10.7270/Q28K7BJX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174707
PNG
((R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(N)=O
Show InChI InChI=1S/C22H24ClFN4O2/c1-15-13-27(14-16-2-7-19(24)8-3-16)10-11-28(15)21(29)9-5-17-4-6-18(23)12-20(17)26-22(25)30/h2-9,12,15H,10-11,13-14H2,1H3,(H3,25,26,30)/b9-5+/t15-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 0.900n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.900n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430284
PNG
(CHEMBL2332930)
Show SMILES COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 |r|
Show InChI InChI=1S/C24H29ClN2O5/c1-16(28)26-21-5-4-20(30-2)12-23(21)31-15-19(29)14-27-9-7-24(8-10-27)13-17-11-18(25)3-6-22(17)32-24/h3-6,11-12,19,29H,7-10,13-15H2,1-2H3,(H,26,28)/t19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50451624
PNG
(CHEMBL331897)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+
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n/an/a 0.900n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 1


Bioorg Med Chem Lett 13: 3597-600 (2003)


BindingDB Entry DOI: 10.7270/Q228085J
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))
BDBM50430283
PNG
(CHEMBL2332932)
Show SMILES CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27ClN2O4/c1-16(27)25-20-4-2-3-5-22(20)29-15-19(28)14-26-10-8-23(9-11-26)13-17-12-18(24)6-7-21(17)30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50430282
PNG
(CHEMBL2332934)
Show SMILES CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H27FN2O4/c1-16(27)25-20-4-2-3-5-22(20)29-15-19(28)14-26-10-8-23(9-11-26)13-17-12-18(24)6-7-21(17)30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs


Bioorg Med Chem Lett 23: 1883-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.095
BindingDB Entry DOI: 10.7270/Q2BG2QBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174711
PNG
(CHEMBL197345 | N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1Cc1ccc(F)cc1)C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C24H27ClFN3O2/c1-16-14-29(17(2)13-28(16)15-19-4-9-22(26)10-5-19)24(31)11-7-20-6-8-21(25)12-23(20)27-18(3)30/h4-12,16-17H,13-15H2,1-3H3,(H,27,30)/b11-7+/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174702
PNG
((R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C23H25ClFN3O2/c1-16-14-27(15-18-3-8-21(25)9-4-18)11-12-28(16)23(30)10-6-19-5-7-20(24)13-22(19)26-17(2)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,26,29)/b10-6+/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50174709
PNG
(CHEMBL372807 | N-(2-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES COc1cc(\C=C\C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl
Show InChI InChI=1S/C25H27ClFN3O3/c1-16(31)28-23-12-22(26)24(33-2)11-18(23)5-10-25(32)30-20-8-9-21(30)15-29(14-20)13-17-3-6-19(27)7-4-17/h3-7,10-12,20-21H,8-9,13-15H2,1-2H3,(H,28,31)/b10-5+
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at rat CCR1 in CHO-K1 cells


Bioorg Med Chem Lett 15: 5160-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.057
BindingDB Entry DOI: 10.7270/Q2C53MMD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50144428
PNG
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)
Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN
Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes


Bioorg Med Chem Lett 14: 2175-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436256
PNG
(CHEMBL2398726)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of RANTES-induced chemotaxis


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50056498
PNG
(CHEMBL3334818)
Show SMILES CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C26H34ClN3O3/c1-18(2)22(29-24(32)28-16-19-8-6-5-7-9-19)23(31)30-15-14-26(33,25(3,4)17-30)20-10-12-21(27)13-11-20/h5-13,18,22,33H,14-17H2,1-4H3,(H2,28,29,32)/t22-,26+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells


J Med Chem 57: 7550-64 (2014)


Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50056504
PNG
(CHEMBL3334824)
Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells


J Med Chem 57: 7550-64 (2014)


Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508174
PNG
(CHEMBL4464625)
Show SMILES CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20FN5O3S/c1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16/h4-13,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MIP1alpha-stimulated CCR1 internalization in human whole blood preincubated for 30 mins followed by MIP1alpha-stimulation and measured ...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436260
PNG
(CHEMBL2398717)
Show SMILES CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C23H33ClN2O3/c1-15(2)20(25-19(27)13-16-5-6-16)21(28)26-12-11-23(29,22(3,4)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,5-6,11-14H2,1-4H3,(H,25,27)/t20-,23+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM102327
PNG
(US8536198, 80)
Show SMILES CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C26H32ClN3O5S/c1-25(2)16-30(14-13-26(25,33)18-9-11-19(27)12-10-18)24(32)21-7-4-8-22(21)29-23(31)17-5-3-6-20(15-17)36(28,34)35/h3,5-6,9-12,15,21-22,33H,4,7-8,13-14,16H2,1-2H3,(H,29,31)(H2,28,34,35)/t21-,22+,26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
CCR1 ligand binding using scintillation proximity assay (SPA).


US Patent US8536198 (2013)


BindingDB Entry DOI: 10.7270/Q2HT2MZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50208999
PNG
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r|
Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay


Bioorg Med Chem Lett 29: 435-440 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.015
BindingDB Entry DOI: 10.7270/Q2D79FSV
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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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))
BDBM50436288
PNG
(CHEMBL2398728)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19+,20+,24-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50451624
PNG
(CHEMBL331897)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+
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n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113085
BindingDB Entry DOI: 10.7270/Q2BC43MB
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436282
PNG
(CHEMBL2398769)
Show SMILES CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C25H32ClN3O3/c1-17(2)22(28-21(30)15-18-9-12-27-13-10-18)23(31)29-14-11-25(32,24(3,4)16-29)19-5-7-20(26)8-6-19/h5-10,12-13,17,22,32H,11,14-16H2,1-4H3,(H,28,30)/t22-,25+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436287
PNG
(CHEMBL2398744)
Show SMILES CC(C)CCC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H37ClN2O3/c1-16(2)7-12-20(28)26-21(17(3)4)22(29)27-14-13-24(30,23(5,6)15-27)18-8-10-19(25)11-9-18/h8-11,16-17,21,30H,7,12-15H2,1-6H3,(H,26,28)/t21-,24+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50508210
PNG
(CHEMBL4518015)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O3S/c1-34(32,33)17-7-13(6-14(8-17)22(24,25)26)9-28-21(31)19-10-27-12-20-18(19)11-29-30(20)16-4-2-15(23)3-5-16/h2-8,10-12H,9H2,1H3,(H,28,31)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
BindingDB Entry DOI: 10.7270/Q2P55RT9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50445007
PNG
(CHEMBL3099942)
Show SMILES CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C23H28ClN3O5/c1-25-22(30)26-19-4-3-17(28)11-21(19)31-14-18(29)13-27-8-6-23(7-9-27)12-15-10-16(24)2-5-20(15)32-23/h2-5,10-11,18,28-29H,6-9,12-14H2,1H3,(H2,25,26,30)/t18-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis


Bioorg Med Chem Lett 24: 108-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.062
BindingDB Entry DOI: 10.7270/Q28K7BJX
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))
BDBM50208999
PNG
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r|
Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 435-440 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.015
BindingDB Entry DOI: 10.7270/Q2D79FSV
More data for this
Ligand-Target Pair
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