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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'ligsay' and Initial = 'k'   
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))
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 4n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 5n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 6n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
BDBM50210992
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C25H24ClFN4O3/c1-15-13-30(14-16-2-7-19(27)8-3-16)10-11-31(15)21(32)9-5-17-4-6-18(26)12-20(17)29-23-22(28)24(33)25(23)34/h2-9,12,15,29H,10-11,13-14,28H2,1H3/b9-5+/t15-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 7n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50210992
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Show InChI InChI=1S/C25H24ClFN4O3/c1-15-13-30(14-16-2-7-19(27)8-3-16)10-11-31(15)21(32)9-5-17-4-6-18(26)12-20(17)29-23-22(28)24(33)25(23)34/h2-9,12,15,29H,10-11,13-14,28H2,1H3/b9-5+/t15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
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 8n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 10n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
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 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
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 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
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 12n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 13n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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 14n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
BDBM50210973
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-5-8-22(32)9-6-20)12-13-37(19)26(38)18-41-25-10-7-21(31)14-24(25)35-28-27(29(39)30(28)40)34-15-23-4-2-3-11-33-23/h2-11,14,19,34-35H,12-13,15-18H2,1H3/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 17n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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


(Homo sapiens (Human))
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 17n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
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 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(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 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(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 18n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR


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


(Homo sapiens (Human))
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 20n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 20n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 21n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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


(Homo sapiens (Human))
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 23n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 24n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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


(Homo sapiens (Human))
BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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 25n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
BDBM50210983
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26BrFN4O4/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 25n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50210995
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O
Show InChI InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-21-2-5-23(32)6-3-21)12-13-37(19)26(38)18-41-25-7-4-22(31)14-24(25)35-28-27(29(39)30(28)40)34-15-20-8-10-33-11-9-20/h2-11,14,19,34-35H,12-13,15-18H2,1H3/t19-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
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 26n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50374829
PNG
(CHEMBL255629)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23Cl3N2O3S/c21-16-7-5-15(6-8-16)20(26)9-13-25(14-10-20)12-2-11-24-29(27,28)19-17(22)3-1-4-18(19)23/h1,3-8,24,26H,2,9-14H2
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n/an/a 30n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50374816
PNG
(CHEMBL256404)
Show SMILES Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O3S/c1-17-5-2-3-6-20(17)28(26,27)23-13-4-14-24-15-11-21(25,12-16-24)18-7-9-19(22)10-8-18/h2-3,5-10,23,25H,4,11-16H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
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 38n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
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 39n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50374831
PNG
(CHEMBL429419)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26Cl2N2O3S/c1-16-4-2-5-19(23)20(16)29(27,28)24-12-3-13-25-14-10-21(26,11-15-25)17-6-8-18(22)9-7-17/h2,4-9,24,26H,3,10-15H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50374806
PNG
(CHEMBL269957)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O3S/c21-17-8-6-16(7-9-17)20(25)10-14-24(15-11-20)13-3-12-23-28(26,27)19-5-2-1-4-18(19)22/h1-2,4-9,23,25H,3,10-15H2
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n/an/a 40n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
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 42n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
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 47n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 49n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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


(Homo sapiens (Human))
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 50n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50374818
PNG
(CHEMBL258065)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClF3N2O3S/c22-17-8-6-16(7-9-17)20(28)10-14-27(15-11-20)13-3-12-26-31(29,30)19-5-2-1-4-18(19)21(23,24)25/h1-2,4-9,26,28H,3,10-15H2
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n/an/a 50n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
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 59n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat 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


(Homo sapiens (Human))
BDBM50210981
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C27H30ClFN4O5/c1-17-14-32(15-18-3-6-20(29)7-4-18)10-11-33(17)23(34)16-38-22-8-5-19(28)13-21(22)31-25-24(26(35)27(25)36)30-9-12-37-2/h3-8,13,17,30-31H,9-12,14-16H2,1-2H3/t17-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells


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


(Homo sapiens (Human))
BDBM50210978
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O
Show InChI InChI=1S/C30H35ClFN5O4/c1-20-17-36(18-21-4-7-23(32)8-5-21)14-15-37(20)26(38)19-41-25-9-6-22(31)16-24(25)34-28-27(29(39)30(28)40)33-10-13-35-11-2-3-12-35/h4-9,16,20,33-34H,2-3,10-15,17-19H2,1H3/t20-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50374807
PNG
(CHEMBL272097)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2O3S2/c19-16-6-4-15(5-7-16)18(22)8-12-21(13-9-18)11-2-10-20-26(23,24)17-3-1-14-25-17/h1,3-7,14,20,22H,2,8-13H2
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n/an/a 70n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50210988
PNG
((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)
Show SMILES CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C26H28ClFN4O4/c1-3-29-23-24(26(35)25(23)34)30-20-12-18(27)6-9-21(20)36-15-22(33)32-11-10-31(13-16(32)2)14-17-4-7-19(28)8-5-17/h4-9,12,16,29-30H,3,10-11,13-15H2,1-2H3/t16-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50210986
PNG
((R,E)-3-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazi...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C26H26ClFN4O3/c1-16-14-31(15-17-3-8-20(28)9-4-17)11-12-32(16)22(33)10-6-18-5-7-19(27)13-21(18)30-24-23(29-2)25(34)26(24)35/h3-10,13,16,29-30H,11-12,14-15H2,1-2H3/b10-6+/t16-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50210991
PNG
((R)-3-(2-(2-(4-(4-chlorobenzyl)-2-methylpiperazin-...)
Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O
Show InChI InChI=1S/C25H26Cl2N4O4/c1-15-12-30(13-16-3-5-17(26)6-4-16)9-10-31(15)21(32)14-35-20-8-7-18(27)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 78n/an/an/an/an/an/a



Tanabe Research Laboratories, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis


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


(Homo sapiens (Human))
BDBM50374829
PNG
(CHEMBL255629)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23Cl3N2O3S/c21-16-7-5-15(6-8-16)20(26)9-13-25(14-10-20)12-2-11-24-29(27,28)19-17(22)3-1-4-18(19)23/h1,3-8,24,26H,2,9-14H2
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n/an/a 80n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
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