BindingDB logo
myBDB logout

PubMed code 21940167

Compile data set for download or QSAR
Found 12 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 3


(Homo sapiens (Human))
BDBM50355897
PNG
(CHEMBL1910163)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCN(Cc3ccc(F)cc3)CC2)CC1
Show InChI InChI=1S/C25H34FN3O4S/c1-32-23-7-8-24(33-2)25(17-23)34(30,31)29-11-9-21(10-12-29)19-28-15-13-27(14-16-28)18-20-3-5-22(26)6-4-20/h3-8,17,21H,9-16,18-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50355899
PNG
(CHEMBL1910165)
Show SMILES Fc1ccc(OC2CCN(CCCCNC(=O)Nc3ccc(F)c(F)c3)C2)cc1
Show InChI InChI=1S/C21H24F3N3O2/c22-15-3-6-17(7-4-15)29-18-9-12-27(14-18)11-2-1-10-25-21(28)26-16-5-8-19(23)20(24)13-16/h3-8,13,18H,1-2,9-12,14H2,(H2,25,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50355898
PNG
(CHEMBL1910164)
Show SMILES COc1ccc(Cl)cc1NC(=O)NCCCCN(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H25ClFN3O2/c1-25(14-15-5-8-17(22)9-6-15)12-4-3-11-23-20(26)24-18-13-16(21)7-10-19(18)27-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,23,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50355893
PNG
(CHEMBL1910159)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClN3O4S/c1-14-18(15(2)27-22-14)28(25,26)21-10-3-11-23-12-8-19(24,9-13-23)16-4-6-17(20)7-5-16/h4-7,21,24H,3,8-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 261n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR1 expressed in CHO-K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50355894
PNG
(CHEMBL1910160)
Show SMILES Fc1ccc(OC2CCN(CCCCNC(=O)NCc3ccc(Br)cc3)C2)cc1
Show InChI InChI=1S/C22H27BrFN3O2/c23-18-5-3-17(4-6-18)15-26-22(28)25-12-1-2-13-27-14-11-21(16-27)29-20-9-7-19(24)8-10-20/h3-10,21H,1-2,11-16H2,(H2,25,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 387n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR1 expressed in CHO-K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50355895
PNG
(CHEMBL1910161)
Show SMILES Fc1ccc(cc1)C1CCN(CCCNC(=O)C2=Cc3cc(Br)ccc3OCC2)CC1
Show InChI InChI=1S/C25H28BrFN2O2/c26-22-4-7-24-21(17-22)16-20(10-15-31-24)25(30)28-11-1-12-29-13-8-19(9-14-29)18-2-5-23(27)6-3-18/h2-7,16-17,19H,1,8-15H2,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 925n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR2 expressed in CHO ducX#98 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50355895
PNG
(CHEMBL1910161)
Show SMILES Fc1ccc(cc1)C1CCN(CCCNC(=O)C2=Cc3cc(Br)ccc3OCC2)CC1
Show InChI InChI=1S/C25H28BrFN2O2/c26-22-4-7-24-21(17-22)16-20(10-15-31-24)25(30)28-11-1-12-29-13-8-19(9-14-29)18-2-5-23(27)6-3-18/h2-7,16-17,19H,1,8-15H2,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50355901
PNG
(CHEMBL1910166)
Show SMILES Fc1ccc(COCC2CCN(CCCNC(=O)c3cccc(c3)C#N)CC2)cc1
Show InChI InChI=1S/C24H28FN3O2/c25-23-7-5-19(6-8-23)17-30-18-20-9-13-28(14-10-20)12-2-11-27-24(29)22-4-1-3-21(15-22)16-26/h1,3-8,15,20H,2,9-14,17-18H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1- alpha from CCR5 expressed in CHO K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50355900
PNG
(CHEMBL1910167)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1
Show InChI InChI=1S/C26H35FN2O4S/c1-32-24-7-8-25(33-2)26(18-24)34(30,31)29-15-11-22(12-16-29)19-28-13-9-21(10-14-28)17-20-3-5-23(27)6-4-20/h3-8,18,21-22H,9-17,19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50355902
PNG
(CHEMBL1910168)
Show SMILES COc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(CC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H33FN2O3S/c1-19-3-8-24(31-2)25(17-19)32(29,30)28-15-9-20(10-16-28)18-27-13-11-22(12-14-27)21-4-6-23(26)7-5-21/h3-8,17,20,22H,9-16,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1- alpha from CCR5 expressed in CHO K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50355896
PNG
(CHEMBL1910162)
Show SMILES Fc1ccc(CC2CCN(CCCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
Show InChI InChI=1S/C24H29F4N3O2/c25-20-5-3-18(4-6-20)17-19-11-15-31(16-12-19)14-2-1-13-29-23(32)30-21-7-9-22(10-8-21)33-24(26,27)28/h3-10,19H,1-2,11-17H2,(H2,29,30,32)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR2 expressed in CHO ducX#98 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50355900
PNG
(CHEMBL1910167)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1
Show InChI InChI=1S/C26H35FN2O4S/c1-32-24-7-8-25(33-2)26(18-24)34(30,31)29-15-11-22(12-16-29)19-28-13-9-21(10-14-28)17-20-3-5-23(27)6-4-20/h3-8,18,21-22H,9-17,19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.85E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1- alpha from CCR5 expressed in CHO K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 6249-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.013
BindingDB Entry DOI: 10.7270/Q2XS5VTX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%