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PubMed code 16640339

Compile data set for download or QSAR
Found 41 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 5


(Homo sapiens (Human))
BDBM50185979
PNG
(1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)
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n/an/a 0.420n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185967
PNG
(CHEMBL207487 | N-(3-(4-(4-(methylsulfonyl)benzyl)p...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H39Cl2N3O5S2/c1-40(36,37)26-7-4-22(5-8-26)20-23-10-16-32(17-11-23)14-3-15-34(25-6-9-27(30)28(31)21-25)29(35)24-12-18-33(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185972
PNG
(CHEMBL207182 | N-(3-(4-(4-fluorobenzyl)piperidin-1...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H36Cl2FN3O2/c1-21(36)34-17-11-24(12-18-34)29(37)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-25(32)6-4-22/h3-8,20,23-24H,2,9-19H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185973
PNG
(CHEMBL207630 | N-{3-[4-(4-cyanobenzyl)piperidin-1-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185973
PNG
(CHEMBL207630 | N-{3-[4-(4-cyanobenzyl)piperidin-1-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185963
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Sc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O2S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)37-24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185963
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Sc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O2S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)37-24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185964
PNG
(CHEMBL382252 | N-{3-[4-(3-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2cccc(c2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-16-10-23(11-17-34)29(37)35(25-6-7-26(30)27(31)20-25)13-3-12-33-14-8-21(9-15-33)18-22-4-2-5-24(19-22)28(32)36/h2,4-7,19-21,23H,3,8-18H2,1H3,(H2,32,36)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185961
PNG
(CHEMBL207190 | N-(3-(4-(4-fluorobenzyl)piperidin-1...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2FN3O3S/c1-38(36,37)33-17-11-23(12-18-33)28(35)34(25-7-8-26(29)27(30)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(31)6-4-21/h3-8,20,22-23H,2,9-19H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185978
PNG
(1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185967
PNG
(CHEMBL207487 | N-(3-(4-(4-(methylsulfonyl)benzyl)p...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H39Cl2N3O5S2/c1-40(36,37)26-7-4-22(5-8-26)20-23-10-16-32(17-11-23)14-3-15-34(25-6-9-27(30)28(31)21-25)29(35)24-12-18-33(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185975
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O3S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)38(37)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185964
PNG
(CHEMBL382252 | N-{3-[4-(3-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2cccc(c2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-16-10-23(11-17-34)29(37)35(25-6-7-26(30)27(31)20-25)13-3-12-33-14-8-21(9-15-33)18-22-4-2-5-24(19-22)28(32)36/h2,4-7,19-21,23H,3,8-18H2,1H3,(H2,32,36)
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185968
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O4S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)39(37,38)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185972
PNG
(CHEMBL207182 | N-(3-(4-(4-fluorobenzyl)piperidin-1...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H36Cl2FN3O2/c1-21(36)34-17-11-24(12-18-34)29(37)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-25(32)6-4-22/h3-8,20,23-24H,2,9-19H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185975
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O3S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)38(37)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185961
PNG
(CHEMBL207190 | N-(3-(4-(4-fluorobenzyl)piperidin-1...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2FN3O3S/c1-38(36,37)33-17-11-23(12-18-33)28(35)34(25-7-8-26(29)27(30)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(31)6-4-21/h3-8,20,22-23H,2,9-19H2,1H3
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n/an/a 3.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185979
PNG
(1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)
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PubMed
n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185978
PNG
(1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38)
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185968
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluoro...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H34Cl2FN3O4S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)39(37,38)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185971
PNG
(CHEMBL207447 | N-(3,4-dichlorophenyl)-N-[3-(4-{[(4...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185970
PNG
(CHEMBL207301 | methyl 4-({1-[3-((3,4-Dichloropheny...)
Show SMILES COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C30H39Cl2N3O5S/c1-40-30(37)25-6-4-22(5-7-25)20-23-10-16-33(17-11-23)14-3-15-35(26-8-9-27(31)28(32)21-26)29(36)24-12-18-34(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185971
PNG
(CHEMBL207447 | N-(3,4-dichlorophenyl)-N-[3-(4-{[(4...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185969
PNG
(CHEMBL264832 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C30H40Cl2N4O4S/c1-33-29(37)24-6-4-22(5-7-24)20-23-10-16-34(17-11-23)14-3-15-36(26-8-9-27(31)28(32)21-26)30(38)25-12-18-35(19-13-25)41(2,39)40/h4-9,21,23,25H,3,10-20H2,1-2H3,(H,33,37)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185980
PNG
(CHEMBL207485 | N-{3-[4-(4-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36)
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n/an/a 5.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185966
PNG
(CHEMBL206088 | N-{3-[4-(2-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-22(12-18-34)29(37)35(24-7-8-26(30)27(31)20-24)14-4-13-33-15-9-21(10-16-33)19-23-5-2-3-6-25(23)28(32)36/h2-3,5-8,20-22H,4,9-19H2,1H3,(H2,32,36)
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n/an/a 6.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185970
PNG
(CHEMBL207301 | methyl 4-({1-[3-((3,4-Dichloropheny...)
Show SMILES COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C30H39Cl2N3O5S/c1-40-30(37)25-6-4-22(5-7-25)20-23-10-16-33(17-11-23)14-3-15-35(26-8-9-27(31)28(32)21-26)29(36)24-12-18-34(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185976
PNG
(CHEMBL205706 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3
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n/an/a 8.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185980
PNG
(CHEMBL207485 | N-{3-[4-(4-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36)
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185969
PNG
(CHEMBL264832 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C30H40Cl2N4O4S/c1-33-29(37)24-6-4-22(5-7-24)20-23-10-16-34(17-11-23)14-3-15-36(26-8-9-27(31)28(32)21-26)30(38)25-12-18-35(19-13-25)41(2,39)40/h4-9,21,23,25H,3,10-20H2,1-2H3,(H,33,37)
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n/an/a 9.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185974
PNG
(CHEMBL205964 | N-(3-{4-[4-(tert-butylcarbamoyl)ben...)
Show SMILES CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C33H46Cl2N4O4S/c1-33(2,3)36-31(40)26-8-6-24(7-9-26)22-25-12-18-37(19-13-25)16-5-17-39(28-10-11-29(34)30(35)23-28)32(41)27-14-20-38(21-15-27)44(4,42)43/h6-11,23,25,27H,5,12-22H2,1-4H3,(H,36,40)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185974
PNG
(CHEMBL205964 | N-(3-{4-[4-(tert-butylcarbamoyl)ben...)
Show SMILES CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C33H46Cl2N4O4S/c1-33(2,3)36-31(40)26-8-6-24(7-9-26)22-25-12-18-37(19-13-25)16-5-17-39(28-10-11-29(34)30(35)23-28)32(41)27-14-20-38(21-15-27)44(4,42)43/h6-11,23,25,27H,5,12-22H2,1-4H3,(H,36,40)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185966
PNG
(CHEMBL206088 | N-{3-[4-(2-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-22(12-18-34)29(37)35(24-7-8-26(30)27(31)20-24)14-4-13-33-15-9-21(10-16-33)19-23-5-2-3-6-25(23)28(32)36/h2-3,5-8,20-22H,4,9-19H2,1H3,(H2,32,36)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185960
PNG
(1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-ph...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185976
PNG
(CHEMBL205706 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185965
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroa...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185965
PNG
(1-acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroa...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185977
PNG
(4-({1-[3-((3,4-dichlorophenyl){[1-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H37Cl2N3O5S/c1-40(38,39)33-17-11-23(12-18-33)28(35)34(25-7-8-26(30)27(31)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(6-4-21)29(36)37/h3-8,20,22-23H,2,9-19H2,1H3,(H,36,37)
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n/an/a 44n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185977
PNG
(4-({1-[3-((3,4-dichlorophenyl){[1-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H37Cl2N3O5S/c1-40(38,39)33-17-11-23(12-18-33)28(35)34(25-7-8-26(30)27(31)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(6-4-21)29(36)37/h3-8,20,22-23H,2,9-19H2,1H3,(H,36,37)
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n/an/a 66n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185960
PNG
(1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-ph...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185962
PNG
(CHEMBL210327 | N-(3,4-dichlorophenyl)-N-(3-{4-[(4-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H35Cl2FN4O4S/c1-40(38,39)34-17-9-21(10-18-34)28(37)35(24-7-8-25(29)26(30)19-24)14-2-13-33-15-11-23(12-16-33)32-27(36)20-3-5-22(31)6-4-20/h3-8,19,21,23H,2,9-18H2,1H3,(H,32,36)
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n/an/a 730n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%