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Compile Data Set for Download or QSAR

Found 65 hits of ic50 data for polymerid = 50001759   
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 1


(Mus musculus)
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 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
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 5.80n/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 mouse 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


(Mus musculus)
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 5.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I -MIP-1 alpha binding to mouse 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


(Mus musculus)
BDBM50098636
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthen...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |t:4,(7.53,2.69,;6.21,1.9,;6.21,.35,;7.56,-.4,;9.14,.28,;10.55,-.32,;11.96,.28,;12.57,1.69,;11.96,3.14,;10.55,3.72,;9.14,3.12,;8.53,1.69,;4.86,1.11,;3.55,.35,;3.45,-1.39,;4.89,-1.96,;6.24,-1.17,;2.1,-2.16,;.88,-1.17,;.88,.35,;-.44,-1.96,;-1.76,-1.17,;-1.76,.35,;-3.11,1.12,;-3.11,2.69,;-4.46,.35,;-4.42,-1.2,;-3.11,-1.96,;-3.14,-3.5,;-1.79,-4.27,;-1.79,-5.79,;-.47,-6.57,;.88,-5.82,;2.2,-6.59,;.88,-4.28,;-.44,-3.5,)|
Show InChI InChI=1S/C30H36Br2N2O2/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 12n/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 mouse 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


(Mus musculus)
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 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibitory activity against MIP-1 alpha- induced [Ca2+] response in U937 cells expressing mouse CCR1 receptor


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


(Mus musculus)
BDBM50174710
PNG
(CHEMBL200242 | N-(2-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES CN(C)CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2
Show InChI InChI=1S/C26H30ClFN4O2/c1-30(2)17-25(33)29-24-13-20(27)7-5-19(24)6-12-26(34)32-22-10-11-23(32)16-31(15-22)14-18-3-8-21(28)9-4-18/h3-9,12-13,22-23H,10-11,14-17H2,1-2H3,(H,29,33)/b12-6+
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
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 44n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR1 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA 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


(Mus musculus)
BDBM50174718
PNG
(CHEMBL200680 | N-(6-(3-(3-(4-fluorobenzyl)-3,8-dia...)
Show SMILES CC(=O)Nc1cc2ncccc2cc1\C=C\C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2
Show InChI InChI=1S/C27H27FN4O2/c1-18(33)30-26-14-25-20(3-2-12-29-25)13-21(26)6-11-27(34)32-23-9-10-24(32)17-31(16-23)15-19-4-7-22(28)8-5-19/h2-8,11-14,23-24H,9-10,15-17H2,1H3,(H,30,33)/b11-6+
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50174714
PNG
((R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COc1cc(\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl
Show InChI InChI=1S/C24H27ClFN3O3/c1-16-14-28(15-18-4-7-20(26)8-5-18)10-11-29(16)24(31)9-6-19-12-23(32-3)21(25)13-22(19)27-17(2)30/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,27,30)/b9-6+/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50098641
PNG
(1-Cyclooct-1-enylmethyl-1-ethyl-4-[(9H-xanthene-9-...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:4,(7.65,-27.47,;6.33,-28.27,;6.35,-29.81,;7.68,-30.58,;9.25,-29.88,;10.66,-30.48,;12.1,-29.88,;12.68,-28.47,;12.1,-27.02,;10.66,-26.45,;9.25,-27.05,;8.66,-28.47,;5,-29.05,;3.67,-29.81,;3.57,-31.55,;5.04,-32.12,;6.38,-31.32,;2.22,-32.32,;1.03,-31.32,;1.01,-29.81,;-.31,-32.12,;-.31,-33.66,;1.01,-34.44,;1.01,-35.97,;-.34,-36.71,;-1.66,-35.94,;-1.66,-34.43,;-3,-33.66,;-2.97,-32.12,;-4.29,-31.36,;-4.32,-29.81,;-2.97,-29.04,;-1.63,-29.81,;-1.63,-31.32,)|
Show InChI InChI=1S/C30H38N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-12,14-17,24,29H,2-7,13,18-22H2,1H3/p+1/b23-12+
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n/an/a 63n/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 mouse 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


(Mus musculus)
BDBM50098648
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show SMILES CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12
Show InChI InChI=1S/C30H38Br2N2O2.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;/h10-13,18-19,21,24,29H,2-9,14-17,20H2,1H3;1H
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n/an/a 140n/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 mouse 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


(Mus musculus)
BDBM50098633
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12
Show InChI InChI=1S/C31H40Br2N2O2.HI/c1-2-16-35(21-22-8-6-4-3-5-7-9-22)17-14-25(15-18-35)34-31(36)30-26-19-23(32)10-12-28(26)37-29-13-11-24(33)20-27(29)30;/h10-13,19-20,22,25,30H,2-9,14-18,21H2,1H3;1H
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n/an/a 140n/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 mouse 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


(Mus musculus)
BDBM50098627
PNG
(1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-c...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |(8.73,-24.46,;8.74,-26,;10.08,-26.77,;11.65,-26.09,;11.05,-24.67,;11.65,-23.24,;13.07,-22.65,;14.48,-23.24,;15.08,-24.67,;14.48,-26.08,;13.07,-26.67,;7.39,-25.26,;6.07,-26,;6.07,-27.54,;7.42,-28.31,;8.77,-27.54,;4.75,-28.31,;3.41,-27.54,;3.4,-26,;2.1,-28.31,;.77,-27.54,;.77,-26,;-.57,-25.23,;-.58,-23.69,;-1.91,-26,;-1.89,-27.56,;-.58,-28.31,;-.6,-29.85,;.75,-30.62,;.74,-32.13,;2.06,-32.93,;3.41,-32.16,;4.89,-32.56,;3.41,-30.64,;2.1,-29.85,)|
Show InChI InChI=1S/C29H36Br2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
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n/an/a 240n/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 mouse 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


(Mus musculus)
BDBM50210977
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C24H24ClFN4O4/c1-14-11-29(12-15-2-5-17(26)6-3-15)8-9-30(14)20(31)13-34-19-7-4-16(25)10-18(19)28-22-21(27)23(32)24(22)33/h2-7,10,14,28H,8-9,11-13,27H2,1H3/t14-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50098637
PNG
(1-Cyclooctylmethyl-1-propyl-4-[(9H-xanthene-9-carb...)
Show SMILES CCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(3.85,.09,;3.46,-1.42,;1.96,-1.83,;1.58,-3.31,;2.91,-4.08,;4.46,-3.4,;5.89,-3.98,;7.31,-3.4,;7.89,-1.96,;7.31,-.56,;5.89,.03,;4.46,-.56,;3.89,-1.99,;.24,-2.57,;-1.09,-3.31,;-1.08,-4.85,;.27,-5.62,;1.61,-4.85,;-2.39,-5.65,;-3.72,-4.88,;-3.74,-3.34,;-5.05,-5.65,;-6.37,-4.88,;-6.37,-3.34,;-7.71,-2.57,;-9.05,-3.34,;-9.03,-4.88,;-7.72,-5.65,;-7.71,-7.19,;-6.4,-7.95,;-6.41,-9.46,;-5.08,-10.25,;-3.74,-9.49,;-3.74,-7.95,;-5.05,-7.19,)|
Show InChI InChI=1S/C31H42N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-11,14-17,24-25,30H,2-7,12-13,18-23H2,1H3/p+1
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n/an/a 270n/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 mouse 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


(Mus musculus)
BDBM50098628
PNG
(1-Cyclooct-1-enylmethyl-1-propyl-4-[(9H-xanthene-9...)
Show SMILES CCC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:5,(8.83,-27.51,;8.85,-29.05,;7.53,-29.84,;7.54,-31.38,;8.89,-32.15,;10.45,-31.45,;11.87,-32.05,;13.28,-31.45,;13.88,-30.04,;13.28,-28.6,;11.87,-28.02,;10.45,-28.62,;9.85,-30.04,;6.2,-30.62,;4.88,-31.38,;4.78,-33.12,;6.23,-33.69,;7.57,-32.9,;3.44,-33.89,;2.22,-32.9,;2.21,-31.38,;.91,-33.69,;.91,-35.22,;2.22,-36,;2.22,-37.53,;.88,-38.28,;-.45,-37.51,;-.44,-35.99,;-1.78,-35.22,;-1.76,-33.69,;-3.08,-32.93,;-3.1,-31.38,;-1.75,-30.61,;-.42,-31.38,;-.42,-32.9,)|
Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-12,14-17,25,30H,2-7,13,18-23H2,1H3/p+1/b24-12+
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
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 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50098651
PNG
(1-Cyclooct-1-enylmethyl-1-methyl-4-[(9H-xanthene-9...)
Show SMILES C[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |t:3|
Show InChI InChI=1S/C29H36N2O2.HI/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28;/h7-11,13-16,23,28H,2-6,12,17-21H2,1H3;1H/b22-11+;
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
BDBM50098642
PNG
(1-Butyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES CCCC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(1.45,-.52,;.14,-1.32,;.16,-2.86,;-1.16,-3.64,;-1.14,-5.18,;.2,-5.95,;1.76,-5.26,;1.17,-3.85,;1.76,-2.42,;3.19,-1.83,;4.6,-2.42,;5.2,-3.83,;4.6,-5.26,;3.19,-5.85,;-2.49,-4.44,;-3.81,-5.18,;-3.81,-6.72,;-2.46,-7.49,;-1.11,-6.72,;-5.12,-7.52,;-6.44,-6.75,;-6.47,-5.21,;-7.79,-7.52,;-7.79,-9.06,;-6.47,-9.83,;-6.47,-11.37,;-7.82,-12.13,;-9.13,-11.34,;-9.13,-9.83,;-10.45,-9.06,;-10.45,-7.52,;-11.76,-6.75,;-11.8,-5.21,;-10.45,-4.44,;-9.1,-5.21,;-9.1,-6.75,)|
Show InChI InChI=1S/C32H44N2O2/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
BDBM50174713
PNG
(CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...)
Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+
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n/an/a 448n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50174706
PNG
((R)-N-(3-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1cc2ccccc2cc1NC(C)=O
Show InChI InChI=1S/C27H28FN3O2/c1-19-17-30(18-21-7-10-25(28)11-8-21)13-14-31(19)27(33)12-9-24-15-22-5-3-4-6-23(22)16-26(24)29-20(2)32/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,29,32)/b12-9+/t19-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
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 580n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50098640
PNG
(9H-Xanthene-9-carboxylic acid (1-cyclooct-1-enylme...)
Show SMILES O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)C1c2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C28H34N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-10,12-15,22,27H,1-5,11,16-20H2,(H,29,31)/b21-10+
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n/an/a 590n/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 mouse 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


(Mus musculus)
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 600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50210970
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1
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n/an/a 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
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 615n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50098626
PNG
(1-Cyclooctylmethyl-1-ethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(2.19,-1.52,;3.28,-2.61,;3.28,-4.15,;4.63,-4.92,;6.19,-4.23,;5.59,-2.82,;6.19,-1.39,;7.61,-.8,;9.03,-1.39,;9.63,-2.8,;9.03,-4.23,;7.61,-4.82,;1.94,-3.4,;.62,-4.15,;.62,-5.69,;1.97,-6.46,;3.32,-5.69,;-.69,-6.48,;-2.01,-5.71,;-2.04,-4.17,;-3.36,-6.48,;-4.67,-5.71,;-4.67,-4.17,;-6.02,-3.4,;-7.37,-4.17,;-7.34,-5.72,;-6.02,-6.48,;-6.02,-8.02,;-4.71,-8.79,;-4.71,-10.31,;-3.39,-11.08,;-2.04,-10.33,;-2.04,-8.8,;-3.36,-8.02,)|
Show InChI InChI=1S/C30H40N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
BDBM50508186
PNG
(CHEMBL4441094)
Show SMILES CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR1 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA 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


(Mus musculus)
BDBM50098620
PNG
(1-Allyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbo...)
Show SMILES C=CC[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(.78,-2.99,;.8,-4.53,;-.51,-5.33,;-.5,-6.88,;.84,-7.65,;2.41,-6.94,;3.83,-7.54,;5.24,-6.94,;5.84,-5.53,;5.24,-4.11,;3.83,-3.51,;2.41,-4.11,;1.81,-5.53,;-.47,-8.42,;-1.82,-9.19,;-3.17,-8.42,;-3.17,-6.88,;-1.85,-6.13,;-4.48,-9.21,;-5.8,-8.44,;-5.83,-6.9,;-7.14,-9.21,;-7.14,-10.75,;-5.83,-11.53,;-5.83,-13.06,;-7.18,-13.81,;-8.49,-13.04,;-8.49,-11.52,;-9.81,-10.75,;-9.81,-9.21,;-11.12,-8.45,;-11.15,-6.9,;-9.81,-6.13,;-8.46,-6.9,;-8.46,-8.44,)|
Show InChI InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h2,8-11,14-17,24-25,30H,1,3-7,12-13,18-23H2/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
BDBM50098630
PNG
(1-Cyclooctylmethyl-4-[(2,7-dichloro-9H-xanthene-9-...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |(9.02,-6.84,;9.03,-8.38,;10.37,-9.15,;11.94,-8.48,;11.34,-7.06,;11.94,-5.63,;13.36,-5.04,;14.77,-5.63,;15.37,-7.06,;14.77,-8.47,;13.36,-9.06,;7.68,-7.65,;6.36,-8.38,;6.36,-9.92,;7.71,-10.69,;9.06,-9.92,;5.04,-10.69,;3.7,-9.92,;3.69,-8.38,;2.39,-10.69,;1.06,-9.92,;1.06,-8.38,;-.28,-7.61,;-.29,-6.07,;-1.63,-8.38,;-1.6,-9.95,;-.29,-10.69,;-.31,-12.23,;1.04,-13,;1.03,-14.53,;2.35,-15.31,;3.7,-14.54,;5.18,-14.95,;3.7,-13.03,;2.39,-12.23,)|
Show InChI InChI=1S/C29H36Cl2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse 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


(Mus musculus)
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 900n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in mouse WEHI274.1 cells assessed as inhibition of CCL3/MIP-1alpha-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


(Mus musculus)
BDBM50210982
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O
Show InChI InChI=1S/C26H28ClFN4O5/c1-16-13-31(14-17-2-5-19(28)6-3-17)9-10-32(16)22(34)15-37-21-7-4-18(27)12-20(21)30-24-23(29-8-11-33)25(35)26(24)36/h2-7,12,16,29-30,33H,8-11,13-15H2,1H3/t16-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50210979
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O
Show InChI InChI=1S/C26H29ClFN5O4/c1-16-13-32(14-17-2-5-19(28)6-3-17)10-11-33(16)22(34)15-37-21-7-4-18(27)12-20(21)31-24-23(30-9-8-29)25(35)26(24)36/h2-7,12,16,30-31H,8-11,13-15,29H2,1H3/t16-/m1/s1
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n/an/a 968n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1 |r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)|
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of mouse CCR1


Bioorg Med Chem Lett 20: 7473-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50210976
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-4-7-23(32)8-5-20)11-12-37(19)26(38)18-41-25-9-6-22(31)13-24(25)35-28-27(29(39)30(28)40)34-15-21-3-2-10-33-14-21/h2-10,13-14,19,34-35H,11-12,15-18H2,1H3/t19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50174705
PNG
((R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1cc2cccnc2cc1NC(C)=O
Show InChI InChI=1S/C26H27FN4O2/c1-18-16-30(17-20-5-8-23(27)9-6-20)12-13-31(18)26(33)10-7-22-14-21-4-3-11-28-24(21)15-25(22)29-19(2)32/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,29,32)/b10-7+/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50098639
PNG
(1-Benzyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carb...)
Show SMILES O=C(NC1CC[N+](CC2CCCCCCC2)(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12 |(-5.83,-6.9,;-5.8,-8.44,;-4.48,-9.21,;-3.16,-8.42,;-1.82,-9.18,;-.47,-8.42,;-.5,-6.88,;.84,-7.65,;2.41,-6.94,;1.81,-5.53,;2.41,-4.11,;3.83,-3.51,;5.24,-4.11,;5.84,-5.53,;5.24,-6.94,;3.83,-7.54,;-.51,-5.32,;-1.86,-4.57,;-1.88,-3.03,;-3.23,-2.29,;-4.54,-3.08,;-4.51,-4.63,;-3.18,-5.37,;-1.85,-6.13,;-3.16,-6.88,;-7.14,-9.21,;-8.46,-8.44,;-8.46,-6.9,;-9.8,-6.13,;-11.15,-6.9,;-11.12,-8.45,;-9.8,-9.21,;-9.8,-10.75,;-8.49,-11.52,;-8.49,-13.03,;-7.17,-13.8,;-5.83,-13.06,;-5.83,-11.53,;-7.14,-10.75,)|
Show InChI InChI=1S/C35H42N2O2/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2/p+1
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n/an/a 1.30E+3n/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 mouse 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


(Mus musculus)
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 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50210971
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O
Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50210972
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O
Show InChI InChI=1S/C30H35ClFN5O5/c1-20-17-36(18-21-2-5-23(32)6-3-21)10-11-37(20)26(38)19-42-25-7-4-22(31)16-24(25)34-28-27(29(39)30(28)40)33-8-9-35-12-14-41-15-13-35/h2-7,16,20,33-34H,8-15,17-19H2,1H3/t20-/m1/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse CCR1


Bioorg Med Chem Lett 17: 3367-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1KK9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50098644
PNG
(2,7-Dichloro-9H-xanthene-9-carboxylic acid (1-cycl...)
Show SMILES Clc1ccc2Oc3ccc(Cl)cc3C(C(=O)NC3CCN(C\C4=C\CCCCCC4)CC3)c2c1 |t:23|
Show InChI InChI=1S/C28H32Cl2N2O2/c29-20-8-10-25-23(16-20)27(24-17-21(30)9-11-26(24)34-25)28(33)31-22-12-14-32(15-13-22)18-19-6-4-2-1-3-5-7-19/h6,8-11,16-17,22,27H,1-5,7,12-15,18H2,(H,31,33)/b19-6+
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n/an/a 1.90E+3n/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 mouse 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


(Mus musculus)
BDBM50098634
PNG
(1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)|
Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1
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n/an/a 2.10E+3n/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 mouse 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


(Mus musculus)
BDBM50098635
PNG
(2,7-Dibromo-9H-xanthene-9-carboxylic acid (1-cyclo...)
Show SMILES Brc1ccc2Oc3ccc(Br)cc3C(C(=O)NC3CCN(C\C4=C\CCCCCC4)CC3)c2c1 |t:23|
Show InChI InChI=1S/C28H32Br2N2O2/c29-20-8-10-25-23(16-20)27(24-17-21(30)9-11-26(24)34-25)28(33)31-22-12-14-32(15-13-22)18-19-6-4-2-1-3-5-7-19/h6,8-11,16-17,22,27H,1-5,7,12-15,18H2,(H,31,33)/b19-6+
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n/an/a 2.50E+3n/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 mouse 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


(Mus musculus)
BDBM50174704
PNG
((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2[nH]1
Show InChI InChI=1S/C23H24ClFN4O2/c1-14-12-28(13-16-3-5-19(25)6-4-16)7-8-29(14)23(31)21-10-17-9-18(24)11-20(22(17)27-21)26-15(2)30/h3-6,9-11,14,27H,7-8,12-13H2,1-2H3,(H,26,30)/t14-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50174720
PNG
((R)-N-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)CNc1ccc(Cl)cc1NC(C)=O
Show InChI InChI=1S/C22H26ClFN4O2/c1-15-13-27(14-17-3-6-19(24)7-4-17)9-10-28(15)22(30)12-25-20-8-5-18(23)11-21(20)26-16(2)29/h3-8,11,15,25H,9-10,12-14H2,1-2H3,(H,26,29)/t15-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
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 3.00E+3n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in mouse WEHI274.1 cells


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


(Mus musculus)
BDBM50174717
PNG
((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1
Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity at mouse 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


(Mus musculus)
BDBM50027216
PNG
(5-(4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl)-2,...)
Show SMILES OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
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n/an/a 5.00E+3n/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 mouse 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


(Mus musculus)
BDBM50098625
PNG
(9H-Xanthene-9-carboxylic acid (1-hexyl-piperidin-4...)
Show SMILES CCCCCCN1CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C25H32N2O2/c1-2-3-4-9-16-27-17-14-19(15-18-27)26-25(28)24-20-10-5-7-12-22(20)29-23-13-8-6-11-21(23)24/h5-8,10-13,19,24H,2-4,9,14-18H2,1H3,(H,26,28)
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n/an/a>1.00E+4n/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 mouse 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


(Mus musculus)
BDBM50098647
PNG
(9H-Xanthene-9-carboxylic acid (1-cyclodecylmethyl-...)
Show SMILES O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C30H40N2O2/c33-30(29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29)31-24-18-20-32(21-19-24)22-23-12-6-4-2-1-3-5-7-13-23/h8-11,14-17,23-24,29H,1-7,12-13,18-22H2,(H,31,33)
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n/an/a>1.00E+4n/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 mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
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