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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50043489   
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 5


(Homo sapiens (Human))
BDBM50441875
PNG
(CHEMBL2436819)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C27H29N3O4/c1-2-34-26-13-10-23(18-25(26)28-27(31)22-6-4-3-5-7-22)21-14-16-29(17-15-21)19-20-8-11-24(12-9-20)30(32)33/h3-13,18,21H,2,14-17,19H2,1H3,(H,28,31)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441879
PNG
(CHEMBL2436720)
Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H27N3O4/c1-33-25-12-9-22(17-24(25)27-26(30)21-5-3-2-4-6-21)20-13-15-28(16-14-20)18-19-7-10-23(11-8-19)29(31)32/h2-12,17,20H,13-16,18H2,1H3,(H,27,30)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441871
PNG
(CHEMBL2436816)
Show SMILES COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C24H27N5O2/c1-31-23-7-4-19(14-21(23)28-24(30)22-15-26-10-11-27-22)18-8-12-29(13-9-18)16-17-2-5-20(25)6-3-17/h2-7,10-11,14-15,18H,8-9,12-13,16,25H2,1H3,(H,28,30)
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n/an/a 3.88E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441873
PNG
(CHEMBL2436824)
Show SMILES CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C25H29N5O2/c1-2-32-24-8-5-20(15-22(24)29-25(31)23-16-27-11-12-28-23)19-9-13-30(14-10-19)17-18-3-6-21(26)7-4-18/h3-8,11-12,15-16,19H,2,9-10,13-14,17,26H2,1H3,(H,29,31)
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n/an/a 4.35E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441867
PNG
(CHEMBL2436712)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C28H31N3O4/c1-20(2)35-27-13-10-24(18-26(27)29-28(32)23-6-4-3-5-7-23)22-14-16-30(17-15-22)19-21-8-11-25(12-9-21)31(33)34/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,29,32)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441874
PNG
(CHEMBL2436825)
Show SMILES CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C27H31N5O3/c1-3-35-26-9-6-22(16-24(26)31-27(34)25-17-28-12-13-29-25)21-10-14-32(15-11-21)18-20-4-7-23(8-5-20)30-19(2)33/h4-9,12-13,16-17,21H,3,10-11,14-15,18H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441878
PNG
(CHEMBL2436822)
Show SMILES CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)N(CC)CC)CC1
Show InChI InChI=1S/C29H37N5O2/c1-4-34(5-2)25-10-7-22(8-11-25)21-33-17-13-23(14-18-33)24-9-12-28(36-6-3)26(19-24)32-29(35)27-20-30-15-16-31-27/h7-12,15-16,19-20,23H,4-6,13-14,17-18,21H2,1-3H3,(H,32,35)
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n/an/a 5.18E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441884
PNG
(CHEMBL2436814)
Show SMILES CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC)c(NC(=O)c3cnccn3)c2)cc1
Show InChI InChI=1S/C28H35N5O2/c1-4-33(5-2)24-9-6-21(7-10-24)20-32-16-12-22(13-17-32)23-8-11-27(35-3)25(18-23)31-28(34)26-19-29-14-15-30-26/h6-11,14-15,18-19,22H,4-5,12-13,16-17,20H2,1-3H3,(H,31,34)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441869
PNG
(CHEMBL2436817)
Show SMILES COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C26H29N5O3/c1-18(32)29-22-6-3-19(4-7-22)17-31-13-9-20(10-14-31)21-5-8-25(34-2)23(15-21)30-26(33)24-16-27-11-12-28-24/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,29,32)(H,30,33)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441872
PNG
(CHEMBL2436823)
Show SMILES CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C25H27N5O4/c1-2-34-24-8-5-20(15-22(24)28-25(31)23-16-26-11-12-27-23)19-9-13-29(14-10-19)17-18-3-6-21(7-4-18)30(32)33/h3-8,11-12,15-16,19H,2,9-10,13-14,17H2,1H3,(H,28,31)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441864
PNG
(CHEMBL2436715)
Show SMILES CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1
Show InChI InChI=1S/C30H39N5O2/c1-5-35(6-2)26-10-7-23(8-11-26)21-34-17-13-24(14-18-34)25-9-12-29(37-22(3)4)27(19-25)33-30(36)28-20-31-15-16-32-28/h7-12,15-16,19-20,22,24H,5-6,13-14,17-18,21H2,1-4H3,(H,33,36)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441876
PNG
(CHEMBL2436820)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31)
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n/an/a 6.30E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441870
PNG
(CHEMBL2436818)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)N(CC)CC)CC1
Show InChI InChI=1S/C31H39N3O2/c1-4-34(5-2)28-15-12-24(13-16-28)23-33-20-18-25(19-21-33)27-14-17-30(36-6-3)29(22-27)32-31(35)26-10-8-7-9-11-26/h7-17,22,25H,4-6,18-21,23H2,1-3H3,(H,32,35)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441863
PNG
(CHEMBL2436716)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H29N5O4/c1-18(2)35-25-8-5-21(15-23(25)29-26(32)24-16-27-11-12-28-24)20-9-13-30(14-10-20)17-19-3-6-22(7-4-19)31(33)34/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3,(H,29,32)
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n/an/a 6.57E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441866
PNG
(CHEMBL2436713)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-20(2)33-27-13-10-24(18-26(27)30-28(32)23-6-4-3-5-7-23)22-14-16-31(17-15-22)19-21-8-11-25(29)12-9-21/h3-13,18,20,22H,14-17,19,29H2,1-2H3,(H,30,32)
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n/an/a 6.62E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441882
PNG
(CHEMBL2436722)
Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
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n/an/a 7.08E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441883
PNG
(CHEMBL2436815)
Show SMILES COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C24H25N5O4/c1-33-23-7-4-19(14-21(23)27-24(30)22-15-25-10-11-26-22)18-8-12-28(13-9-18)16-17-2-5-20(6-3-17)29(31)32/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,27,30)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441881
PNG
(CHEMBL2436721)
Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30)
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n/an/a 7.70E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441862
PNG
(CHEMBL2436717)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1
Show InChI InChI=1S/C26H31N5O2/c1-18(2)33-25-8-5-21(15-23(25)30-26(32)24-16-28-11-12-29-24)20-9-13-31(14-10-20)17-19-3-6-22(27)7-4-19/h3-8,11-12,15-16,18,20H,9-10,13-14,17,27H2,1-2H3,(H,30,32)
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PubMed
n/an/a 7.78E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441861
PNG
(CHEMBL2436718)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C28H33N5O3/c1-19(2)36-27-9-6-23(16-25(27)32-28(35)26-17-29-12-13-30-26)22-10-14-33(15-11-22)18-21-4-7-24(8-5-21)31-20(3)34/h4-9,12-13,16-17,19,22H,10-11,14-15,18H2,1-3H3,(H,31,34)(H,32,35)
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PubMed
n/an/a 8.81E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441880
PNG
(CHEMBL2436719)
Show SMILES CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C30H37N3O2/c1-4-33(5-2)27-14-11-23(12-15-27)22-32-19-17-24(18-20-32)26-13-16-29(35-3)28(21-26)31-30(34)25-9-7-6-8-10-25/h6-16,21,24H,4-5,17-20,22H2,1-3H3,(H,31,34)
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PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441865
PNG
(CHEMBL2436714)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C30H35N3O3/c1-21(2)36-29-14-11-26(19-28(29)32-30(35)25-7-5-4-6-8-25)24-15-17-33(18-16-24)20-23-9-12-27(13-10-23)31-22(3)34/h4-14,19,21,24H,15-18,20H2,1-3H3,(H,31,34)(H,32,35)
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n/an/a 9.22E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441877
PNG
(CHEMBL2436821)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1
Show InChI InChI=1S/C29H33N3O3/c1-3-35-28-14-11-25(19-27(28)31-29(34)24-7-5-4-6-8-24)23-15-17-32(18-16-23)20-22-9-12-26(13-10-22)30-21(2)33/h4-14,19,23H,3,15-18,20H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 1.15E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441868
PNG
(CHEMBL2436711)
Show SMILES CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C32H41N3O2/c1-5-35(6-2)29-15-12-25(13-16-29)23-34-20-18-26(19-21-34)28-14-17-31(37-24(3)4)30(22-28)33-32(36)27-10-8-7-9-11-27/h7-17,22,24,26H,5-6,18-21,23H2,1-4H3,(H,33,36)
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Article
PubMed
n/an/a 1.38E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...


Eur J Med Chem 69: 647-58 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.004
BindingDB Entry DOI: 10.7270/Q26W9CJK
More data for this
Ligand-Target Pair