BindingDB logo
myBDB logout

PubMed code 25766632

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 expressed in U2OS cells incubated for 150 mins by scintillation spectrometry

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097901
PNG
(CHEMBL3589952)
Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)OCCc2ccccc32)C2CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H32F6N2O2/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)7-11-37-12-9-27(10-13-37)25-4-2-1-3-21(25)8-14-39-27/h1-4,15-17,20,24H,5-14,18H2,(H,36,38)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097887
PNG
(CHEMBL3589845)
Show SMILES Fc1ccc(cc1)C(CCN1CCC2(CC1)OCCc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F7N2O2/c33-26-7-5-22(6-8-26)27(29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39)9-13-41-14-11-30(12-15-41)28-4-2-1-3-23(28)10-16-43-30/h1-8,17-19,27H,9-16,20H2,(H,40,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097892
PNG
(CHEMBL3588870)
Show SMILES COc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C33H33F7N2O3/c1-44-27-6-7-29-23(18-27)9-15-45-31(29)10-13-42(14-11-31)12-8-28(22-2-4-26(34)5-3-22)30(43)41-20-21-16-24(32(35,36)37)19-25(17-21)33(38,39)40/h2-7,16-19,28H,8-15,20H2,1H3,(H,41,43)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097893
PNG
(CHEMBL3589847)
Show SMILES Fc1ccc(cc1)C(CCN1CCC2(CC1)OCCc1ccccc21)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F5N2O2/c32-25-7-5-22(6-8-25)27(29(39)37-20-21-17-24(31(34,35)36)19-26(33)18-21)9-13-38-14-11-30(12-15-38)28-4-2-1-3-23(28)10-16-40-30/h1-8,17-19,27H,9-16,20H2,(H,37,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097882
PNG
(CHEMBL3589842)
Show SMILES Fc1cc(CNC(=O)CCCN2CCC3(CC2)OCCc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N2O2/c26-21-15-18(14-20(16-21)25(27,28)29)17-30-23(32)6-3-10-31-11-8-24(9-12-31)22-5-2-1-4-19(22)7-13-33-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097885
PNG
(CHEMBL3589844)
Show SMILES COc1ccc2c(CCOC22CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C26H30F4N2O3/c1-34-22-4-5-23-19(15-22)6-12-35-25(23)7-10-32(11-8-25)9-2-3-24(33)31-17-18-13-20(26(28,29)30)16-21(27)14-18/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 318n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50098054
PNG
(CHEMBL3589950)
Show SMILES COc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C32H33F5N2O3/c1-41-27-6-7-29-23(18-27)9-15-42-31(29)10-13-39(14-11-31)12-8-28(22-2-4-25(33)5-3-22)30(40)38-20-21-16-24(32(35,36)37)19-26(34)17-21/h2-7,16-19,28H,8-15,20H2,1H3,(H,38,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 353n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097890
PNG
(CHEMBL3589846)
Show SMILES CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C33H33F7N2O2/c1-21-16-24-4-2-3-5-29(24)31(44-21)11-14-42(15-12-31)13-10-28(23-6-8-27(34)9-7-23)30(43)41-20-22-17-25(32(35,36)37)19-26(18-22)33(38,39)40/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,41,43)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 462n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097879
PNG
(CHEMBL3589839)
Show SMILES FC(F)(F)c1cc(CNC(=O)CCCN2CCC3(CC2)OCCc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F6N2O2/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-10-34-11-8-24(9-12-34)22-5-2-1-4-19(22)7-13-36-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 684n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097881
PNG
(CHEMBL3589841)
Show SMILES COc1ccc2c(CCOC22CCN(CCCC(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C27H30F6N2O3/c1-37-22-4-5-23-19(15-22)6-12-38-25(23)7-10-35(11-8-25)9-2-3-24(36)34-17-18-13-20(26(28,29)30)16-21(14-18)27(31,32)33/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097894
PNG
(CHEMBL3589949)
Show SMILES CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C32H33F5N2O2/c1-21-16-24-4-2-3-5-29(24)31(41-21)11-14-39(15-12-31)13-10-28(23-6-8-26(33)9-7-23)30(40)38-20-22-17-25(32(35,36)37)19-27(34)18-22/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,38,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097901
PNG
(CHEMBL3589952)
Show SMILES FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)OCCc2ccccc32)C2CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H32F6N2O2/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)7-11-37-12-9-27(10-13-37)25-4-2-1-3-21(25)8-14-39-27/h1-4,15-17,20,24H,5-14,18H2,(H,36,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097893
PNG
(CHEMBL3589847)
Show SMILES Fc1ccc(cc1)C(CCN1CCC2(CC1)OCCc1ccccc21)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F5N2O2/c32-25-7-5-22(6-8-25)27(29(39)37-20-21-17-24(31(34,35)36)19-26(33)18-21)9-13-38-14-11-30(12-15-38)28-4-2-1-3-23(28)10-16-40-30/h1-8,17-19,27H,9-16,20H2,(H,37,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.63E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097890
PNG
(CHEMBL3589846)
Show SMILES CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C33H33F7N2O2/c1-21-16-24-4-2-3-5-29(24)31(44-21)11-14-42(15-12-31)13-10-28(23-6-8-27(34)9-7-23)30(43)41-20-22-17-25(32(35,36)37)19-26(18-22)33(38,39)40/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,41,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.67E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097892
PNG
(CHEMBL3588870)
Show SMILES COc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C33H33F7N2O3/c1-44-27-6-7-29-23(18-27)9-15-45-31(29)10-13-42(14-11-31)12-8-28(22-2-4-26(34)5-3-22)30(43)41-20-21-16-24(32(35,36)37)19-25(17-21)33(38,39)40/h2-7,16-19,28H,8-15,20H2,1H3,(H,41,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.16E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50098054
PNG
(CHEMBL3589950)
Show SMILES COc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C32H33F5N2O3/c1-41-27-6-7-29-23(18-27)9-15-42-31(29)10-13-39(14-11-31)12-8-28(22-2-4-25(33)5-3-22)30(40)38-20-21-16-24(32(35,36)37)19-26(34)17-21/h2-7,16-19,28H,8-15,20H2,1H3,(H,38,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.63E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097900
PNG
(CHEMBL3589951)
Show SMILES Oc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C31H31F5N2O3/c32-24-3-1-21(2-4-24)27(29(40)37-19-20-15-23(31(34,35)36)18-25(33)16-20)7-11-38-12-9-30(10-13-38)28-6-5-26(39)17-22(28)8-14-41-30/h1-6,15-18,27,39H,7-14,19H2,(H,37,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097880
PNG
(CHEMBL3589840)
Show SMILES CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)O1
Show InChI InChI=1S/C27H30F6N2O2/c1-18-13-20-5-2-3-6-23(20)25(37-18)8-11-35(12-9-25)10-4-7-24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.54E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097880
PNG
(CHEMBL3589840)
Show SMILES CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)O1
Show InChI InChI=1S/C27H30F6N2O2/c1-18-13-20-5-2-3-6-23(20)25(37-18)8-11-35(12-9-25)10-4-7-24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,34,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097894
PNG
(CHEMBL3589949)
Show SMILES CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C32H33F5N2O2/c1-21-16-24-4-2-3-5-29(24)31(41-21)11-14-39(15-12-31)13-10-28(23-6-8-26(33)9-7-23)30(40)38-20-22-17-25(32(35,36)37)19-27(34)18-22/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,38,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.01E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097887
PNG
(CHEMBL3589845)
Show SMILES Fc1ccc(cc1)C(CCN1CCC2(CC1)OCCc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F7N2O2/c33-26-7-5-22(6-8-26)27(29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39)9-13-41-14-11-30(12-15-41)28-4-2-1-3-23(28)10-16-43-30/h1-8,17-19,27H,9-16,20H2,(H,40,42)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50097883
PNG
(CHEMBL3589843)
Show SMILES CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)O1
Show InChI InChI=1S/C26H30F4N2O2/c1-18-13-20-5-2-3-6-23(20)25(34-18)8-11-32(12-9-25)10-4-7-24(33)31-17-19-14-21(26(28,29)30)16-22(27)15-19/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097881
PNG
(CHEMBL3589841)
Show SMILES COc1ccc2c(CCOC22CCN(CCCC(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C27H30F6N2O3/c1-37-22-4-5-23-19(15-22)6-12-38-25(23)7-10-35(11-8-25)9-2-3-24(36)34-17-18-13-20(26(28,29)30)16-21(14-18)27(31,32)33/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,34,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097879
PNG
(CHEMBL3589839)
Show SMILES FC(F)(F)c1cc(CNC(=O)CCCN2CCC3(CC2)OCCc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F6N2O2/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-10-34-11-8-24(9-12-34)22-5-2-1-4-19(22)7-13-36-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,33,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097883
PNG
(CHEMBL3589843)
Show SMILES CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)O1
Show InChI InChI=1S/C26H30F4N2O2/c1-18-13-20-5-2-3-6-23(20)25(34-18)8-11-32(12-9-25)10-4-7-24(33)31-17-19-14-21(26(28,29)30)16-22(27)15-19/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097900
PNG
(CHEMBL3589951)
Show SMILES Oc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C31H31F5N2O3/c32-24-3-1-21(2-4-24)27(29(40)37-19-20-15-23(31(34,35)36)18-25(33)16-20)7-11-38-12-9-30(10-13-38)28-6-5-26(39)17-22(28)8-14-41-30/h1-6,15-18,27,39H,7-14,19H2,(H,37,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097885
PNG
(CHEMBL3589844)
Show SMILES COc1ccc2c(CCOC22CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)c1
Show InChI InChI=1S/C26H30F4N2O3/c1-34-22-4-5-23-19(15-22)6-12-35-25(23)7-10-32(11-8-25)9-2-3-24(33)31-17-18-13-20(26(28,29)30)16-21(27)14-18/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50097882
PNG
(CHEMBL3589842)
Show SMILES Fc1cc(CNC(=O)CCCN2CCC3(CC2)OCCc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N2O2/c26-21-15-18(14-20(16-21)25(27,28)29)17-30-23(32)6-3-10-31-11-8-24(9-12-31)22-5-2-1-4-19(22)7-13-33-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...

Bioorg Med Chem 23: 4034-49 (2015)


Article DOI: 10.1016/j.bmc.2015.02.019
BindingDB Entry DOI: 10.7270/Q23F4RD1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%