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Compile Data Set for Download or QSAR

Found 291 hits from ChemoCentryx, Inc.   
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


(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))
BDBM50427070
PNG
(CHEMBL2322853)
Show SMILES COc1cc(ccc1Cl)N1CCN([C@@H](C)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C19H21Cl2F3N4O2/c1-11-9-26(13-4-5-14(20)15(8-13)30-3)6-7-27(11)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/s2
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n/an/a 2n/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 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))
BDBM50427095
PNG
(CHEMBL2322858)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(F)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19ClF4N4O2/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 5n/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))
BDBM50427105
PNG
(CHEMBL2322879)
Show SMILES COc1cc(cc(F)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18Cl2F4N4O2/c1-10-15(19)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(21)16(20)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 5n/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 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))
BDBM50427092
PNG
(CHEMBL2322861)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(C#N)c1C)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N5O2/c1-12-14(10-24)18(19(21,22)23)25-28(12)11-17(29)27-7-5-26(6-8-27)13-3-4-15(20)16(9-13)30-2/h3-4,9H,5-8,11H2,1-2H3
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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 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 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))
BDBM50427093
PNG
(CHEMBL2322860)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(I)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3IN4O2/c1-11-16(23)17(18(20,21)22)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 7n/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))
BDBM50427080
PNG
(CHEMBL2322844)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(C(C)C)c(Cl)c1C
Show InChI InChI=1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3
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n/an/a 8n/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))
BDBM50427094
PNG
(CHEMBL2322859)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Br)c1C)C(F)(F)F
Show InChI InChI=1S/C18H19BrClF3N4O2/c1-11-16(19)17(18(21,22)23)24-27(11)10-15(28)26-7-5-25(6-8-26)12-3-4-13(20)14(9-12)29-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 8n/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))
BDBM50427086
PNG
(CHEMBL2322867)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CO)C(F)(F)F
Show InChI InChI=1S/C18H19Cl2F3N4O3/c1-30-14-8-11(2-3-12(14)19)25-4-6-26(7-5-25)15(29)9-27-13(10-28)16(20)17(24-27)18(21,22)23/h2-3,8,28H,4-7,9-10H2,1H3
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n/an/a 10n/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))
BDBM50427104
PNG
(CHEMBL2322880)
Show SMILES COc1cc(cc(Cl)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18Cl3F3N4O2/c1-10-15(20)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(19)16(21)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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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))
BDBM50427077
PNG
(CHEMBL2322847)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(C#N)c(Cl)c1C
Show InChI InChI=1S/C18H19Cl2N5O2/c1-12-18(20)15(10-21)22-25(12)11-17(26)24-7-5-23(6-8-24)13-3-4-14(19)16(9-13)27-2/h3-4,9H,5-8,11H2,1-2H3
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n/an/a 10n/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))
BDBM50427076
PNG
(CHEMBL2321887)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)S(C)(=O)=O
Show InChI InChI=1S/C18H22Cl2N4O4S/c1-12-17(20)18(29(3,26)27)21-24(12)11-16(25)23-8-6-22(7-9-23)13-4-5-14(19)15(10-13)28-2/h4-5,10H,6-9,11H2,1-3H3
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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))
BDBM50427069
PNG
(CHEMBL2322854)
Show SMILES COc1cc(ccc1Cl)N1CCN([C@H](CO)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C19H21Cl2F3N4O3/c1-11-17(21)18(19(22,23)24)25-28(11)9-16(30)27-6-5-26(8-13(27)10-29)12-3-4-14(20)15(7-12)31-2/h3-4,7,13,29H,5-6,8-10H2,1-2H3/t13-/s2
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n/an/a 11n/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))
BDBM50427098
PNG
(CHEMBL2322886)
Show SMILES COc1cc(cc(CO)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H21Cl2F3N4O3/c1-11-16(20)18(19(22,23)24)25-28(11)9-15(30)27-5-3-26(4-6-27)13-7-12(10-29)17(21)14(8-13)31-2/h7-8,29H,3-6,9-10H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-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))
BDBM50427108
PNG
(CHEMBL2322876)
Show SMILES CCOc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H21Cl2F3N4O2/c1-3-30-15-10-13(4-5-14(15)20)26-6-8-27(9-7-26)16(29)11-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,10H,3,6-9,11H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



ChemoCentryx, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-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 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))
BDBM50427103
PNG
(CHEMBL2322881)
Show SMILES COc1cc(cc(Br)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C18H18BrCl2F3N4O2/c1-10-15(20)17(18(22,23)24)25-28(10)9-14(29)27-5-3-26(4-6-27)11-7-12(19)16(21)13(8-11)30-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 14n/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 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


(Homo sapiens (Human))
BDBM50427097
PNG
(CHEMBL2322887)
Show SMILES COc1cc(cc(CN)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H22Cl2F3N5O2/c1-11-16(20)18(19(22,23)24)26-29(11)10-15(30)28-5-3-27(4-6-28)13-7-12(9-25)17(21)14(8-13)31-2/h7-8H,3-6,9-10,25H2,1-2H3
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n/an/a 16n/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))
BDBM50427079
PNG
(CHEMBL2322845)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(C)(C)O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-13-18(22)19(20(2,3)28)23-26(13)12-17(27)25-9-7-24(8-10-25)14-5-6-15(21)16(11-14)29-4/h5-6,11,28H,7-10,12H2,1-4H3
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n/an/a 16n/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))
BDBM50427090
PNG
(CHEMBL2322863)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1cc(Cl)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H17Cl2F3N4O2/c1-28-14-8-11(2-3-12(14)18)24-4-6-25(7-5-24)15(27)10-26-9-13(19)16(23-26)17(20,21)22/h2-3,8-9H,4-7,10H2,1H3
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n/an/a 18n/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))
BDBM50427096
PNG
(CHEMBL2322857)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(cc1C)C(F)(F)F
Show InChI InChI=1S/C18H20ClF3N4O2/c1-12-9-16(18(20,21)22)23-26(12)11-17(27)25-7-5-24(6-8-25)13-3-4-14(19)15(10-13)28-2/h3-4,9-10H,5-8,11H2,1-2H3
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n/an/a 19n/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))
BDBM50427078
PNG
(CHEMBL2322846)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(Br)c(Cl)c1C
Show InChI InChI=1S/C17H19BrCl2N4O2/c1-11-16(20)17(18)21-24(11)10-15(25)23-7-5-22(6-8-23)12-3-4-13(19)14(9-12)26-2/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 20n/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))
BDBM50427067
PNG
(CHEMBL2322856)
Show SMILES COc1cc(ccc1Cl)N1CCN(C[C@@H]1C)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C19H21Cl2F3N4O2/c1-11-9-26(6-7-27(11)13-4-5-14(20)15(8-13)30-3)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/s2
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n/an/a 23n/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))
BDBM50427071
PNG
(CHEMBL2322852)
Show SMILES COc1cc(ccc1Cl)N1CCN([C@H](C)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C19H21Cl2F3N4O2/c1-11-9-26(13-4-5-14(20)15(8-13)30-3)6-7-27(11)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/s2
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n/an/a 37n/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))
BDBM50427081
PNG
(CHEMBL2322843)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(C)c(Cl)c1C
Show InChI InChI=1S/C18H22Cl2N4O2/c1-12-18(20)13(2)24(21-12)11-17(25)23-8-6-22(7-9-23)14-4-5-15(19)16(10-14)26-3/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 40n/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))
BDBM50427084
PNG
(CHEMBL2322869)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CN(C)C)C(F)(F)F
Show InChI InChI=1S/C20H24Cl2F3N5O2/c1-27(2)11-15-18(22)19(20(23,24)25)26-30(15)12-17(31)29-8-6-28(7-9-29)13-4-5-14(21)16(10-13)32-3/h4-5,10H,6-9,11-12H2,1-3H3
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n/an/a 47n/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))
BDBM50427085
PNG
(CHEMBL2322868)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CN)C(F)(F)F
Show InChI InChI=1S/C18H20Cl2F3N5O2/c1-30-14-8-11(2-3-12(14)19)26-4-6-27(7-5-26)15(29)10-28-13(9-24)16(20)17(25-28)18(21,22)23/h2-3,8H,4-7,9-10,24H2,1H3
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n/an/a 50n/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))
BDBM50427101
PNG
(CHEMBL2322883)
Show SMILES COc1cc(cc(C(N)=O)c1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C19H20Cl2F3N5O3/c1-10-15(20)17(19(22,23)24)26-29(10)9-14(30)28-5-3-27(4-6-28)11-7-12(18(25)31)16(21)13(8-11)32-2/h7-8H,3-6,9H2,1-2H3,(H2,25,31)
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n/an/a 52n/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))
BDBM50427083
PNG
(CHEMBL2322870)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1CNC(C)=O)C(F)(F)F
Show InChI InChI=1S/C20H22Cl2F3N5O3/c1-12(31)26-10-15-18(22)19(20(23,24)25)27-30(15)11-17(32)29-7-5-28(6-8-29)13-3-4-14(21)16(9-13)33-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,26,31)
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n/an/a 68n/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))
BDBM50427107
PNG
(CHEMBL2322877)
Show SMILES CC(C)Oc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1S/C20H23Cl2F3N4O2/c1-12(2)31-16-10-14(4-5-15(16)21)27-6-8-28(9-7-27)17(30)11-29-13(3)18(22)19(26-29)20(23,24)25/h4-5,10,12H,6-9,11H2,1-3H3
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n/an/a 77n/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))
BDBM50427068
PNG
(CHEMBL2322855)
Show SMILES COc1cc(ccc1Cl)N1CCN(C[C@H]1C)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show InChI InChI=1/C19H21Cl2F3N4O2/c1-11-9-26(6-7-27(11)13-4-5-14(20)15(8-13)30-3)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/s2
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n/an/a 92n/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))
BDBM50427066
PNG
(CHEMBL2322888)
Show SMILES Cc1c(Cl)c(nn1CC(=O)N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H17ClF4N4O/c1-11-15(18)16(17(20,21)22)23-26(11)10-14(27)25-8-6-24(7-9-25)13-4-2-12(19)3-5-13/h2-5H,6-10H2,1H3
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n/an/a 93n/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))
BDBM50427074
PNG
(CHEMBL2322849)
Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(CO)c(Cl)c1C
Show InChI InChI=1S/C18H22Cl2N4O3/c1-12-18(20)15(11-25)21-24(12)10-17(26)23-7-5-22(6-8-23)13-3-4-14(19)16(9-13)27-2/h3-4,9,25H,5-8,10-11H2,1-2H3
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n/an/a 97n/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))
BDBM50427120
PNG
(CHEMBL2322890)
Show SMILES Cc1c(Cl)c(nn1CC(=O)N1CCN(CC1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H17Cl2F3N4O/c1-11-15(19)16(17(20,21)22)23-26(11)10-14(27)25-8-6-24(7-9-25)13-4-2-12(18)3-5-13/h2-5H,6-10H2,1H3
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n/an/a 98n/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
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412150
PNG
(US10392405, Compound Id 1.014)
Show SMILES OC(=O)[C@@H]1CCCCNC(=O)c2cncc(COc3cc(O[C@H]4CCc5c4cccc5-c4ccc5OCCOc5c4F)c(Cl)cc3CN1)c2
Show InChI InChI=1S/C37H35ClFN3O7/c38-28-15-22-19-42-29(37(44)45)6-1-2-11-41-36(43)23-14-21(17-40-18-23)20-48-32(22)16-33(28)49-30-9-7-25-24(4-3-5-26(25)30)27-8-10-31-35(34(27)39)47-13-12-46-31/h3-5,8,10,14-18,29-30,42H,1-2,6-7,9,11-13,19-20H2,(H,41,43)(H,44,45)/t29-,30-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412151
PNG
(US10392405, Compound Id 1.015)
Show SMILES Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCCC[C@@H](NCc3cc2Cl)C(O)=O)cccc1-c1ccccc1
Show InChI InChI=1S/C34H34ClN3O5/c1-22-25(10-7-11-28(22)24-8-3-2-4-9-24)21-43-32-16-31-26(15-29(32)35)19-38-30(34(40)41)12-5-6-13-37-33(39)27-14-23(20-42-31)17-36-18-27/h2-4,7-11,14-18,30,38H,5-6,12-13,19-21H2,1H3,(H,37,39)(H,40,41)/t30-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412159
PNG
(US10392405, Compound Id 1.023)
Show SMILES Cc1c(COc2cc3OCc4cc(cc(c4)C(=O)NCCCC[C@H](NCc3cc2Cl)C(O)=O)C#N)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C
Show InChI InChI=1S/C44H49ClN4O7/c1-28-32(8-5-9-36(28)37-10-6-12-40(29(37)2)54-17-7-15-49-16-13-35(50)25-49)27-56-42-22-41-34(21-38(42)45)24-48-39(44(52)53)11-3-4-14-47-43(51)33-19-30(23-46)18-31(20-33)26-55-41/h5-6,8-10,12,18-22,35,39,48,50H,3-4,7,11,13-17,24-27H2,1-2H3,(H,47,51)(H,52,53)/t35-,39+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412160
PNG
(US10392405, Compound Id 1.024)
Show SMILES Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCCC[C@@H](CO)NCc3cc2Cl)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C
Show InChI InChI=1S/C42H51ClN4O6/c1-28-31(8-5-10-36(28)37-11-6-12-39(29(37)2)51-17-7-15-47-16-13-35(49)24-47)27-53-41-20-40-32(19-38(41)43)23-46-34(25-48)9-3-4-14-45-42(50)33-18-30(26-52-40)21-44-22-33/h5-6,8,10-12,18-22,34-35,46,48-49H,3-4,7,9,13-17,23-27H2,1-2H3,(H,45,50)/t34-,35+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412158
PNG
(US10392405, Compound Id 1.022)
Show SMILES Cc1c(COc2cc3OCc4cc(cc(c4)C(=O)NCCCC[C@H](NCc3cc2Cl)C(O)=O)C#N)cccc1-c1cccc(OCCCN2CCC(O)CC2)c1C
Show InChI InChI=1S/C45H51ClN4O7/c1-29-33(8-5-9-37(29)38-10-6-12-41(30(38)2)55-19-7-16-50-17-13-36(51)14-18-50)28-57-43-24-42-35(23-39(43)46)26-49-40(45(53)54)11-3-4-15-48-44(52)34-21-31(25-47)20-32(22-34)27-56-42/h5-6,8-10,12,20-24,36,40,49,51H,3-4,7,11,13-19,26-28H2,1-2H3,(H,48,52)(H,53,54)/t40-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412157
PNG
(US10392405, Compound Id 1.021)
Show SMILES Cc1c(COc2cc3OCc4cc(cc(c4)C(=O)NCCCC[C@H](NCc3cc2Cl)C(O)=O)C#N)cccc1-c1cccc(OCCCN2CCC(F)CC2)c1C
Show InChI InChI=1S/C45H50ClFN4O6/c1-29-33(8-5-9-37(29)38-10-6-12-41(30(38)2)55-19-7-16-51-17-13-36(47)14-18-51)28-57-43-24-42-35(23-39(43)46)26-50-40(45(53)54)11-3-4-15-49-44(52)34-21-31(25-48)20-32(22-34)27-56-42/h5-6,8-10,12,20-24,36,40,50H,3-4,7,11,13-19,26-28H2,1-2H3,(H,49,52)(H,53,54)/t40-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412161
PNG
(US10392405, Compound Id 1.025)
Show SMILES Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCCC[C@@H](CO)NCc3cc2Cl)cccc1-c1cccc(OCCCN2CCC(F)CC2)c1C
Show InChI InChI=1S/C43H52ClFN4O5/c1-29-32(8-5-10-37(29)38-11-6-12-40(30(38)2)52-19-7-16-49-17-13-35(45)14-18-49)28-54-42-22-41-33(21-39(42)44)25-48-36(26-50)9-3-4-15-47-43(51)34-20-31(27-53-41)23-46-24-34/h5-6,8,10-12,20-24,35-36,48,50H,3-4,7,9,13-19,25-28H2,1-2H3,(H,47,51)/t36-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)

More data for this
Ligand-Target Pair
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