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15 similar compounds to monomer 50124951

Compile data set for download or QSAR
Wt: 610.5
BDBM50124941
Wt: 570.5
BDBM50124942
Wt: 584.5
BDBM50124944
Wt: 542.5
BDBM50124948
Wt: 528.4
BDBM50124949
Wt: 557.5
BDBM50124950
Wt: 596.4
BDBM50124952
Wt: 556.5
BDBM50124958
Wt: 556.5
BDBM50124959
Wt: 568.5
BDBM50124960
Wt: 582.5
BDBM50124961
Wt: 599.5
BDBM50124962
Wt: 572.5
BDBM50124963
Wt: 528.4
BDBM50134045
Wt: 542.5
BDBM50134052

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50124941,50124942,50124944,50124948,50124949,50124950,50124952,50124958,50124959,50124960,50124961,50124962,50124963,50134045,50134052   
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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124958
PNG
((4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'...)
Show SMILES CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26-
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2n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124958
PNG
((4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'...)
Show SMILES CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26-
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50134052
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25-
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2.20n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124948
PNG
((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25+
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124941
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24-
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3.20n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124941
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24-
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3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124959
PNG
((4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}...)
Show SMILES CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26-
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3.30n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124959
PNG
((4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}...)
Show SMILES CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26-
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124949
PNG
((4-{(4-Bromo-phenyl)-[(Z)-methoxyimino]-methyl}-4'...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C26H34BrN5O2/c1-18-23(19(2)29-17-28-18)25(33)31-15-11-26(3,12-16-31)32-13-9-21(10-14-32)24(30-34-4)20-5-7-22(27)8-6-20/h5-8,17,21H,9-16H2,1-4H3/b30-24+
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4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50134045
PNG
((4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'...)
Show SMILES CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C26H34BrN5O2/c1-18-23(19(2)29-17-28-18)25(33)31-15-11-26(3,12-16-31)32-13-9-21(10-14-32)24(30-34-4)20-5-7-22(27)8-6-20/h5-8,17,21H,9-16H2,1-4H3/b30-24-
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4.70n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124963
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
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5.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124963
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
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5.30n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124950
PNG
((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-{(4-bromo...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H37BrN6O2/c1-5-36-32-24(20-6-8-22(28)9-7-20)21-10-14-34(15-11-21)27(4)12-16-33(17-13-27)25(35)23-18(2)30-26(29)31-19(23)3/h6-9,21H,5,10-17H2,1-4H3,(H2,29,30,31)/b32-24-
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5.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124950
PNG
((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-{(4-bromo...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H37BrN6O2/c1-5-36-32-24(20-6-8-22(28)9-7-20)21-10-14-34(15-11-21)27(4)12-16-33(17-13-27)25(35)23-18(2)30-26(29)31-19(23)3/h6-9,21H,5,10-17H2,1-4H3,(H2,29,30,31)/b32-24-
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5.70n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124942
PNG
((4-{(4-Bromo-phenyl)-[(E)-isobutoxyimino]-methyl}-...)
Show SMILES CC(C)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H40BrN5O2/c1-20(2)18-37-33-27(23-6-8-25(30)9-7-23)24-10-14-35(15-11-24)29(5)12-16-34(17-13-29)28(36)26-21(3)31-19-32-22(26)4/h6-9,19-20,24H,10-18H2,1-5H3/b33-27-
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8.10n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124942
PNG
((4-{(4-Bromo-phenyl)-[(E)-isobutoxyimino]-methyl}-...)
Show SMILES CC(C)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H40BrN5O2/c1-20(2)18-37-33-27(23-6-8-25(30)9-7-23)24-10-14-35(15-11-24)29(5)12-16-34(17-13-29)28(36)26-21(3)31-19-32-22(26)4/h6-9,19-20,24H,10-18H2,1-5H3/b33-27-
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8.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124960
PNG
((4-{(4-Bromo-phenyl)-[(E)-cyclopropylmethoxyimino]...)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC1CC1)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN5O2/c1-20-26(21(2)32-19-31-20)28(36)34-16-12-29(3,13-17-34)35-14-10-24(11-15-35)27(33-37-18-22-4-5-22)23-6-8-25(30)9-7-23/h6-9,19,22,24H,4-5,10-18H2,1-3H3/b33-27-
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11n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124960
PNG
((4-{(4-Bromo-phenyl)-[(E)-cyclopropylmethoxyimino]...)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC1CC1)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN5O2/c1-20-26(21(2)32-19-31-20)28(36)34-16-12-29(3,13-17-34)35-14-10-24(11-15-35)27(33-37-18-22-4-5-22)23-6-8-25(30)9-7-23/h6-9,19,22,24H,4-5,10-18H2,1-3H3/b33-27-
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124952
PNG
((4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyim...)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24-
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124952
PNG
((4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyim...)
Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24-
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14n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124961
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27-
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25n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124961
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27-
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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124944
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C30H42BrN5O2/c1-7-38-34-27(23-8-10-25(31)11-9-23)24-12-16-36(17-13-24)30(6)14-18-35(19-15-30)29(37)26-21(4)32-28(20(2)3)33-22(26)5/h8-11,20,24H,7,12-19H2,1-6H3/b34-27-
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43n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124944
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C30H42BrN5O2/c1-7-38-34-27(23-8-10-25(31)11-9-23)24-12-16-36(17-13-24)30(6)14-18-35(19-15-30)29(37)26-21(4)32-28(20(2)3)33-22(26)5/h8-11,20,24H,7,12-19H2,1-6H3/b34-27-
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43n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124962
PNG
(CHEMBL140201 | N-[5-(4-{(4-Bromo-phenyl)-[(E)-etho...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26-
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60n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)


J Med Chem 46: 4501-15 (2003)


Article DOI: 10.1021/jm030265z
BindingDB Entry DOI: 10.7270/Q2SB46GG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50124962
PNG
(CHEMBL140201 | N-[5-(4-{(4-Bromo-phenyl)-[(E)-etho...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26-
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60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


Bioorg Med Chem Lett 13: 709-12 (2003)


Article DOI: 10.1016/s0960-894x(02)01063-6
BindingDB Entry DOI: 10.7270/Q2VM4CTD
More data for this
Ligand-Target Pair