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Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with all data for entry = 50007085   
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 2


(Homo sapiens (Human))
BDBM50506124
PNG
(CHEMBL4544504)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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0.380n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506124
PNG
(CHEMBL4544504)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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0.400n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506145
PNG
(CHEMBL4483373)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C15H13Cl2N5O/c16-10-4-1-7(6-11(10)17)5-9-12(8-2-3-8)19-15-20-14(18)21-22(15)13(9)23/h1,4,6,8H,2-3,5H2,(H3,18,19,20,21)
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0.447n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506145
PNG
(CHEMBL4483373)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C15H13Cl2N5O/c16-10-4-1-7(6-11(10)17)5-9-12(8-2-3-8)19-15-20-14(18)21-22(15)13(9)23/h1,4,6,8H,2-3,5H2,(H3,18,19,20,21)
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0.447n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506146
PNG
(CHEMBL4548396)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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0.600n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506146
PNG
(CHEMBL4548396)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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0.603n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506119
PNG
(CHEMBL4577171)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14BrN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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0.832n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506132
PNG
(CHEMBL4571719)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14IN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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0.871n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506132
PNG
(CHEMBL4571719)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14IN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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0.900n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506119
PNG
(CHEMBL4577171)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14BrN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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0.900n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506125
PNG
(CHEMBL4517518)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14ClN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506125
PNG
(CHEMBL4517518)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14ClN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506135
PNG
(CHEMBL4572833)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14BrN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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1.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506135
PNG
(CHEMBL4572833)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14BrN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506120
PNG
(CHEMBL4438407)
Show SMILES Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C17H18ClN5O/c18-12-7-3-4-10(8-12)9-13-14(11-5-1-2-6-11)20-17-21-16(19)22-23(17)15(13)24/h3-4,7-8,11H,1-2,5-6,9H2,(H3,19,20,21,22)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506122
PNG
(CHEMBL4531005)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506122
PNG
(CHEMBL4531005)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506120
PNG
(CHEMBL4438407)
Show SMILES Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C17H18ClN5O/c18-12-7-3-4-10(8-12)9-13-14(11-5-1-2-6-11)20-17-21-16(19)22-23(17)15(13)24/h3-4,7-8,11H,1-2,5-6,9H2,(H3,19,20,21,22)
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1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506115
PNG
(CHEMBL4463626)
Show SMILES Clc1cccc(Cc2c([nH]c3ncnn3c2=O)C2CC2)c1
Show InChI InChI=1S/C15H13ClN4O/c16-11-3-1-2-9(6-11)7-12-13(10-4-5-10)19-15-17-8-18-20(15)14(12)21/h1-3,6,8,10H,4-5,7H2,(H,17,18,19)
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1.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506115
PNG
(CHEMBL4463626)
Show SMILES Clc1cccc(Cc2c([nH]c3ncnn3c2=O)C2CC2)c1
Show InChI InChI=1S/C15H13ClN4O/c16-11-3-1-2-9(6-11)7-12-13(10-4-5-10)19-15-17-8-18-20(15)14(12)21/h1-3,6,8,10H,4-5,7H2,(H,17,18,19)
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1.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506116
PNG
(CHEMBL4548107)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14ClN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506116
PNG
(CHEMBL4548107)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14ClN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506117
PNG
(CHEMBL4450273)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-8(2)12-11(7-9-4-3-5-10(16)6-9)13(22)21-15(18-12)19-14(17)20-21/h3-6,8H,7H2,1-2H3,(H3,17,18,19,20)
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1.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506117
PNG
(CHEMBL4450273)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-8(2)12-11(7-9-4-3-5-10(16)6-9)13(22)21-15(18-12)19-14(17)20-21/h3-6,8H,7H2,1-2H3,(H3,17,18,19,20)
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1.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506147
PNG
(CHEMBL4569807)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C15H15Br2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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2.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506147
PNG
(CHEMBL4569807)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C15H15Br2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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2.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506123
PNG
(CHEMBL4516788)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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2.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506123
PNG
(CHEMBL4516788)
Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
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2.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506138
PNG
(CHEMBL4474757)
Show SMILES CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O/c1-2-3-7-13-12(9-10-5-4-6-11(17)8-10)14(23)22-16(19-13)20-15(18)21-22/h4-6,8H,2-3,7,9H2,1H3,(H3,18,19,20,21)
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506138
PNG
(CHEMBL4474757)
Show SMILES CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O/c1-2-3-7-13-12(9-10-5-4-6-11(17)8-10)14(23)22-16(19-13)20-15(18)21-22/h4-6,8H,2-3,7,9H2,1H3,(H3,18,19,20,21)
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506130
PNG
(CHEMBL4567816)
Show SMILES Cc1cccc(Cc2c([nH]c3nc(N)nn3c2=O)C2CC2)c1
Show InChI InChI=1S/C16H17N5O/c1-9-3-2-4-10(7-9)8-12-13(11-5-6-11)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,11H,5-6,8H2,1H3,(H3,17,18,19,20)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506130
PNG
(CHEMBL4567816)
Show SMILES Cc1cccc(Cc2c([nH]c3nc(N)nn3c2=O)C2CC2)c1
Show InChI InChI=1S/C16H17N5O/c1-9-3-2-4-10(7-9)8-12-13(11-5-6-11)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,11H,5-6,8H2,1H3,(H3,17,18,19,20)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506131
PNG
(CHEMBL4519409)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14FN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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2.95n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506131
PNG
(CHEMBL4519409)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1
Show InChI InChI=1S/C15H14FN5O/c16-10-3-1-2-8(6-10)7-11-12(9-4-5-9)18-15-19-14(17)20-21(15)13(11)22/h1-3,6,9H,4-5,7H2,(H3,17,18,19,20)
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3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506134
PNG
(CHEMBL4471792)
Show SMILES Cc1ccc(Cc2c([nH]c3nc(N)nn3c2=O)C2CC2)cc1
Show InChI InChI=1S/C16H17N5O/c1-9-2-4-10(5-3-9)8-12-13(11-6-7-11)18-16-19-15(17)20-21(16)14(12)22/h2-5,11H,6-8H2,1H3,(H3,17,18,19,20)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506126
PNG
(CHEMBL4525646)
Show SMILES Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C16H15ClN4O/c1-9-18-16-19-14(11-5-6-11)13(15(22)21(16)20-9)8-10-3-2-4-12(17)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,18,19,20)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506126
PNG
(CHEMBL4525646)
Show SMILES Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1
Show InChI InChI=1S/C16H15ClN4O/c1-9-18-16-19-14(11-5-6-11)13(15(22)21(16)20-9)8-10-3-2-4-12(17)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,18,19,20)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506148
PNG
(CHEMBL4476551)
Show SMILES CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-2-4-12-11(8-9-5-3-6-10(16)7-9)13(22)21-15(18-12)19-14(17)20-21/h3,5-7H,2,4,8H2,1H3,(H3,17,18,19,20)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506134
PNG
(CHEMBL4471792)
Show SMILES Cc1ccc(Cc2c([nH]c3nc(N)nn3c2=O)C2CC2)cc1
Show InChI InChI=1S/C16H17N5O/c1-9-2-4-10(5-3-9)8-12-13(11-6-7-11)18-16-19-15(17)20-21(16)14(12)22/h2-5,11H,6-8H2,1H3,(H3,17,18,19,20)
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3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506148
PNG
(CHEMBL4476551)
Show SMILES CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-2-4-12-11(8-9-5-3-6-10(16)7-9)13(22)21-15(18-12)19-14(17)20-21/h3,5-7H,2,4,8H2,1H3,(H3,17,18,19,20)
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3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506137
PNG
(CHEMBL4588111)
Show SMILES CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C14H14ClN5O/c1-2-11-10(7-8-4-3-5-9(15)6-8)12(21)20-14(17-11)18-13(16)19-20/h3-6H,2,7H2,1H3,(H3,16,17,18,19)
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4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506137
PNG
(CHEMBL4588111)
Show SMILES CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C14H14ClN5O/c1-2-11-10(7-8-4-3-5-9(15)6-8)12(21)20-14(17-11)18-13(16)19-20/h3-6H,2,7H2,1H3,(H3,16,17,18,19)
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4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506150
PNG
(CHEMBL4448714)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14FN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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4.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506150
PNG
(CHEMBL4448714)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1
Show InChI InChI=1S/C15H14FN5O/c16-10-5-1-8(2-6-10)7-11-12(9-3-4-9)18-15-19-14(17)20-21(15)13(11)22/h1-2,5-6,9H,3-4,7H2,(H3,17,18,19,20)
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4.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506127
PNG
(CHEMBL4470785)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1
Show InChI InChI=1S/C15H15N5O/c16-14-18-15-17-12(10-6-7-10)11(13(21)20(15)19-14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,16,17,18,19)
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5.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506149
PNG
(CHEMBL4463383)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(c3)C(F)(F)F)c(=O)n2n1
Show InChI InChI=1S/C16H14F3N5O/c17-16(18,19)10-3-1-2-8(6-10)7-11-12(9-4-5-9)21-15-22-14(20)23-24(15)13(11)25/h1-3,6,9H,4-5,7H2,(H3,20,21,22,23)
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5.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506149
PNG
(CHEMBL4463383)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3cccc(c3)C(F)(F)F)c(=O)n2n1
Show InChI InChI=1S/C16H14F3N5O/c17-16(18,19)10-3-1-2-8(6-10)7-11-12(9-4-5-9)21-15-22-14(20)23-24(15)13(11)25/h1-3,6,9H,4-5,7H2,(H3,20,21,22,23)
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5.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506127
PNG
(CHEMBL4470785)
Show SMILES Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1
Show InChI InChI=1S/C15H15N5O/c16-14-18-15-17-12(10-6-7-10)11(13(21)20(15)19-14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,16,17,18,19)
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5.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506139
PNG
(CHEMBL4466027)
Show SMILES CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O/c1-3-11(4-2)10-15-14(9-12-6-5-7-13(19)8-12)16(25)24-18(21-15)22-17(20)23-24/h5-8,11H,3-4,9-10H2,1-2H3,(H3,20,21,22,23)
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6.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506139
PNG
(CHEMBL4466027)
Show SMILES CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O/c1-3-11(4-2)10-15-14(9-12-6-5-7-13(19)8-12)16(25)24-18(21-15)22-17(20)23-24/h5-8,11H,3-4,9-10H2,1-2H3,(H3,20,21,22,23)
PDB

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6.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
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