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Compile Data Set for Download or QSAR

Found 46 hits of ec50 data for polymerid = 7256   
Target
(Institution)
LigandTarget
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 5


(Homo sapiens (Human))
BDBM50096735
PNG
(CHEMBL2372983 | Compound T140)
Show SMILES NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1
Show InChI InChI=1S/C89H139N33O18S2/c90-35-5-3-17-57-73(128)115-62(18-4-6-36-91)82(137)122-43-13-24-68(122)80(135)118-65(45-50-27-33-55(124)34-28-50)77(132)114-59(20-9-39-106-86(97)98)72(127)112-60(22-11-42-109-89(103)140)74(129)119-66(78(133)116-63(83(138)139)23-12-41-108-88(101)102)47-141-142-48-67(79(134)117-64(44-49-25-31-54(123)32-26-49)76(131)113-58(71(126)111-57)19-8-38-105-85(95)96)120-81(136)69(53-30-29-51-14-1-2-15-52(51)46-53)121-75(130)61(21-10-40-107-87(99)100)110-70(125)56(92)16-7-37-104-84(93)94/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1
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n/an/an/an/a 0.180n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Effective concentration of the compound for antagonistic activity by inhibition of T-tropic strain of HIV-1 through its specific binding to a chemoki...


Bioorg Med Chem Lett 11: 359-62 (2001)

More data for this
Ligand-Target Pair
CCR5


(Homo sapiens (Human))
BDBM84321
PNG
(4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
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n/an/an/an/a 7.46n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
CCR5


(Homo sapiens (Human))
BDBM84339
PNG
(MLS001167316 | N-[4-[2-(2-pyridin-3-yl-1,3-thiazol...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1csc(n1)-c1cccnc1
Show InChI InChI=1S/C18H18N4O3S2/c1-13(23)21-15-4-6-17(7-5-15)27(24,25)20-10-8-16-12-26-18(22-16)14-3-2-9-19-11-14/h2-7,9,11-12,20H,8,10H2,1H3,(H,21,23)
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n/an/an/an/a 19.6n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
CCR5


(Homo sapiens (Human))
BDBM84203
PNG
(4-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]ben...)
Show SMILES CCOC(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H17N5O3/c1-2-26-18(25)14-8-10-15(11-9-14)19-16(24)12-23-21-17(20-22-23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,19,24)
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n/an/an/an/a 123n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
CCR5


(Homo sapiens (Human))
BDBM84215
PNG
(4-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]eth...)
Show SMILES CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C21H24N2O6S/c1-2-28-21(25)16-5-7-17(8-6-16)22-20(24)15-29-18-9-11-19(12-10-18)30(26,27)23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
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n/an/an/an/a 188n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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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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)

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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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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205734
PNG
(1-(6-thiophen-2-yl-pyridazin-3-yl)-piperidine-4-ca...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)C3CCN(CC3)c3ccc(nn3)-c3cccs3)C2)cc1
Show InChI InChI=1S/C27H33N5OS/c1-20-4-6-21(7-5-20)18-31-13-10-22(19-31)17-28-27(33)23-11-14-32(15-12-23)26-9-8-24(29-30-26)25-3-2-16-34-25/h2-9,16,22-23H,10-15,17-19H2,1H3,(H,28,33)
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n/an/an/an/a 1.10E+3n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

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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n/an/an/an/a 1.80E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205732
PNG
(1-(3-diethylamino-propylamino)-3-methyl-2-(2-methy...)
Show SMILES CCN(CC)CCCNc1c(CC(C)=C)c(C)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C24H31N5/c1-6-28(7-2)14-10-13-26-23-19(15-17(3)4)18(5)20(16-25)24-27-21-11-8-9-12-22(21)29(23)24/h8-9,11-12,26H,3,6-7,10,13-15H2,1-2,4-5H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401353
PNG
(CHEMBL2205809)
Show SMILES Cc1cnc2c(ccc3cc(C)cnc23)c1
Show InChI InChI=1S/C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h3-8H,1-2H3
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n/an/an/an/a 1.90E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401352
PNG
(CHEMBL2205810)
Show SMILES Cc1cnc2c(ccc3cccnc23)c1
Show InChI InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

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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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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401353
PNG
(CHEMBL2205809)
Show SMILES Cc1cnc2c(ccc3cc(C)cnc23)c1
Show InChI InChI=1S/C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h3-8H,1-2H3
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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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205735
PNG
(CHEMBL219770 | N-(2-methyl-4-((4-methylpiperazin-1...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c(C)c2)CC1
Show InChI InChI=1S/C24H30N6OS/c1-18-15-20(16-29-13-11-28(3)12-14-29)9-10-22(18)25-23(31)17-32-24-27-26-19(2)30(24)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,31)
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n/an/an/an/a 2.00E+3n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401352
PNG
(CHEMBL2205810)
Show SMILES Cc1cnc2c(ccc3cccnc23)c1
Show InChI InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3
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n/an/an/an/a 2.20E+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)

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 2.30E+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)

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)

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)

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 2.60E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205736
PNG
(2-(4-benzyl-5-(2-(piperidin-1-yl)ethyl)-4H-1,2,4-t...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C26H33N5OS/c1-20-11-12-23(21(2)17-20)27-25(32)19-33-26-29-28-24(13-16-30-14-7-4-8-15-30)31(26)18-22-9-5-3-6-10-22/h3,5-6,9-12,17H,4,7-8,13-16,18-19H2,1-2H3,(H,27,32)
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n/an/an/an/a 3.00E+3n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US9187406, 1,...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/an/an/a 4.90E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US9187406, 1,...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/an/an/a 5.01E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401343
PNG
(CHEMBL2205801)
Show SMILES O=Cc1ccnc2c1ccc1c(C=O)ccnc21
Show InChI InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H
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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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401343
PNG
(CHEMBL2205801)
Show SMILES O=Cc1ccnc2c1ccc1c(C=O)ccnc21
Show InChI InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H
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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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

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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n/an/an/an/a 1.10E+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)

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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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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205733
PNG
(CHEMBL219769 | N-(1-benzylpiperidin-4-yl)-2-(5-met...)
Show SMILES Cc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1-c1ccc(C)cc1
Show InChI InChI=1S/C24H29N5OS/c1-18-8-10-22(11-9-18)29-19(2)26-27-24(29)31-17-23(30)25-21-12-14-28(15-13-21)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,25,30)
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n/an/an/an/a 1.35E+4n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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n/an/an/an/a 1.90E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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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)

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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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)

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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n/an/an/an/a 2.20E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/an/an/a 2.90E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/an/an/a 3.16E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
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n/an/an/an/a 6.31E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM64740
PNG
(2,9-dimethyl-1,10-phenanthroline | MLS001194484 | ...)
Show SMILES Cc1ccc2ccc3ccc(C)nc3c2n1
Show InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
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n/an/an/an/a 6.70E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50205737
PNG
(1-((1-(4-fluorobenzyl)-1H-tetrazol-5-yl)(2-fluorop...)
Show SMILES Fc1ccc(Cn2nnnc2C(N2CCN(CC2)C2CCCCC2)c2ccccc2F)cc1
Show InChI InChI=1S/C25H30F2N6/c26-20-12-10-19(11-13-20)18-33-25(28-29-30-33)24(22-8-4-5-9-23(22)27)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h4-5,8-13,21,24H,1-3,6-7,14-18H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



CNRS UMR 7175-LC1

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay


J Med Chem 50: 1294-303 (2007)

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
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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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50401340
PNG
(CHEMBL1976682)
Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1
Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

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/an/an/a>1.00E+6n/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)

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/an/an/a>1.00E+6n/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)

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
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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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

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)
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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 CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(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>1.00E+6n/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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(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>1.00E+6n/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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(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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Article
PubMed
n/an/an/an/a>1.00E+6n/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)

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Ligand-Target Pair