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45 molecules are shown

Wt: 236.2
BDBM50401341
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Wt: 240.2
BDBM50401342
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Wt: 216.2
BDBM50401349
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Wt: 184.2
BDBM50401350
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Wt: 184.2
BDBM50401351
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Wt: 267.7
BDBM50401354
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Wt: 184.2
BDBM50401355
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Wt: 214.6
BDBM50401344
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Wt: 194.2
BDBM50401345
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Wt: 249.2
BDBM50401356
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Wt: 212.2
BDBM50401357
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Wt: 194.2
BDBM50401346
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Wt: 236.3
BDBM50401347
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Wt: 208.2
BDBM50401348
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Wt: 445.5
BDBM50013320
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<<  First   |  Previous   |  Displayed 31 to 45 (of 45 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 113 hits for monomerid = 50401341,50401342,50401349,50401350,50401351,50401354,50401355,50401344,50401345,50401356,50401357,50401346,50401347,50401348,50013320   
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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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PCBioAssay
n/an/a 3.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50013320
PNG
(CHEMBL3263034)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C26H31N5O2/c1-19(2)33-25-9-8-22(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-21-6-4-20(3)5-7-21/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32)
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UniChem
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PubMed
n/an/a 4.59E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated ...


Bioorg Med Chem Lett 24: 2319-23 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.073
BindingDB Entry DOI: 10.7270/Q29C6ZZM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401341
PNG
(CHEMBL2205803)
Show SMILES O=Cc1ccc2ccc3ccc(C=O)nc3c2n1
Show InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401342
PNG
(CHEMBL2205802)
Show SMILES OCc1ccc2ccc3ccc(CO)nc3c2n1
Show InChI InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401344
PNG
(CHEMBL317115)
Show SMILES Clc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401345
PNG
(CHEMBL98682)
Show SMILES Cc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
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UniChem
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n/an/a 1.19E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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n/an/a 2.61E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
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n/an/a 1.71E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401349
PNG
(CHEMBL2205808)
Show SMILES COc1ccnc(c1)-c1cc(OC)ccn1
Show InChI InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
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n/an/a 1.79E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401350
PNG
(CHEMBL101165)
Show SMILES Cc1ccnc(c1)-c1cc(C)ccn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401351
PNG
(CHEMBL2205807)
Show SMILES Cc1ccc(nc1)-c1ccc(C)cn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
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n/an/a 2.04E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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UniChem
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
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UniChem
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401349
PNG
(CHEMBL2205808)
Show SMILES COc1ccnc(c1)-c1cc(OC)ccn1
Show InChI InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
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UniChem
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401350
PNG
(CHEMBL101165)
Show SMILES Cc1ccnc(c1)-c1cc(C)ccn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
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UniChem
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n/an/an/an/a 1.26E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401351
PNG
(CHEMBL2205807)
Show SMILES Cc1ccc(nc1)-c1ccc(C)cn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401354
PNG
(CHEMBL2205805)
Show SMILES Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
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n/an/an/an/a 1.26E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401341
PNG
(CHEMBL2205803)
Show SMILES O=Cc1ccc2ccc3ccc(C=O)nc3c2n1
Show InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
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n/an/an/an/a 1.26E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401342
PNG
(CHEMBL2205802)
Show SMILES OCc1ccc2ccc3ccc(CO)nc3c2n1
Show InChI InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401344
PNG
(CHEMBL317115)
Show SMILES Clc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401345
PNG
(CHEMBL98682)
Show SMILES Cc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
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n/an/an/an/a 1.58E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
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n/an/an/an/a 794n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401349
PNG
(CHEMBL2205808)
Show SMILES COc1ccnc(c1)-c1cc(OC)ccn1
Show InChI InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401350
PNG
(CHEMBL101165)
Show SMILES Cc1ccnc(c1)-c1cc(C)ccn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
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n/an/an/an/a 3.98E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401351
PNG
(CHEMBL2205807)
Show SMILES Cc1ccc(nc1)-c1ccc(C)cn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401355
PNG
(CHEMBL2205806)
Show SMILES Cc1cccc(n1)-c1cccc(C)n1
Show InChI InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
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n/an/an/an/a 1.26E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401354
PNG
(CHEMBL2205805)
Show SMILES Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
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n/an/an/an/a 390n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401356
PNG
(CHEMBL2205804)
Show SMILES Oc1cc(nc(c1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401341
PNG
(CHEMBL2205803)
Show SMILES O=Cc1ccc2ccc3ccc(C=O)nc3c2n1
Show InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401342
PNG
(CHEMBL2205802)
Show SMILES OCc1ccc2ccc3ccc(CO)nc3c2n1
Show InChI InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401357
PNG
(CHEMBL1623498)
Show SMILES Oc1ccnc2c1ccc1c(O)ccnc21
Show InChI InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
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n/an/an/an/a 8.60E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401344
PNG
(CHEMBL317115)
Show SMILES Clc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401345
PNG
(CHEMBL98682)
Show SMILES Cc1cc2cccnc2c2ncccc12
Show InChI InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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n/an/an/an/a 670n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
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n/an/an/an/a 480n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
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n/an/an/an/a 520n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401349
PNG
(CHEMBL2205808)
Show SMILES COc1ccnc(c1)-c1cc(OC)ccn1
Show InChI InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
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n/an/an/an/a 5.40E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401350
PNG
(CHEMBL101165)
Show SMILES Cc1ccnc(c1)-c1cc(C)ccn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401351
PNG
(CHEMBL2205807)
Show SMILES Cc1ccc(nc1)-c1ccc(C)cn1
Show InChI InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
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n/an/an/an/a 7.50E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50401355
PNG
(CHEMBL2205806)
Show SMILES Cc1cccc(n1)-c1cccc(C)n1
Show InChI InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401354
PNG
(CHEMBL2205805)
Show SMILES Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401356
PNG
(CHEMBL2205804)
Show SMILES Oc1cc(nc(c1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
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n/an/a 5.19E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401341
PNG
(CHEMBL2205803)
Show SMILES O=Cc1ccc2ccc3ccc(C=O)nc3c2n1
Show InChI InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401342
PNG
(CHEMBL2205802)
Show SMILES OCc1ccc2ccc3ccc(CO)nc3c2n1
Show InChI InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401357
PNG
(CHEMBL1623498)
Show SMILES Oc1ccnc2c1ccc1c(O)ccnc21
Show InChI InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
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