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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50427065'   
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))
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))
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 1.5n/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 CCL15/Leukotactin1-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))
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 2.5n/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 CCL23/CKbeta8.1-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))
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 3.90n/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 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


(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 4n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 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


(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 4.80n/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 CCL15/Leukotactin1-induced calcium flux by FLIPR assay


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))
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 5.5n/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 CCL3/MIP-1alpha-induced calcium flux by FLIPR assay


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))
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 6n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human monocytes


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))
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 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human THP1 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


(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 13n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human monocytes


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))
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 15n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human monocytes assessed as inhibition of CCL15/Leukotactin1-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)
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)
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