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15 similar compounds to monomer 50104931

Compile data set for download or QSAR
Wt: 543.4
BDBM50104941
Wt: 513.0
BDBM50115548
Wt: 546.6
BDBM50115549
Wt: 529.4
BDBM50115552
Wt: 543.4
BDBM50115516
Wt: 499.0
BDBM50115518
Wt: 562.6
BDBM50115527
Wt: 532.5
BDBM50115531
Wt: 542.6
BDBM50115535
Wt: 496.6
BDBM50115536
Wt: 556.7
BDBM50115537
Wt: 517.4
BDBM50339957
Wt: 517.4
BDBM50339958
Wt: 531.4
BDBM50339959
Wt: 545.5
BDBM50339960

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50104941,50115548,50115549,50115552,50115516,50115518,50115527,50115531,50115535,50115536,50115537,50339957,50339958,50339959,50339960   
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


(Mus musculus)
BDBM50115549
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N4O3/c1-5-39-33-26(22-6-8-24(9-7-22)29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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3.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115549
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N4O3/c1-5-39-33-26(22-6-8-24(9-7-22)29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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3.80n/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


(Mus musculus)
BDBM50115527
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115527
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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4.40n/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


(Mus musculus)
BDBM50115531
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3
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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 RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115531
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3
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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


(Mus musculus)
BDBM50115548
PNG
(CHEMBL343826 | CHEMBL419735 | {4-[(4-Chloro-phenyl...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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5.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115548
PNG
(CHEMBL343826 | CHEMBL419735 | {4-[(4-Chloro-phenyl...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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5.60n/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))
BDBM50104941
PNG
(CHEMBL106098 | CHEMBL138198 | {4-[(4-Bromo-phenyl)...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3
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18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to C-C chemokine receptor type 5


J Med Chem 44: 3339-42 (2001)


Article DOI: 10.1021/jm015526o
BindingDB Entry DOI: 10.7270/Q27M0771
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)
BDBM50104941
PNG
(CHEMBL106098 | CHEMBL138198 | {4-[(4-Bromo-phenyl)...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50104941
PNG
(CHEMBL106098 | CHEMBL138198 | {4-[(4-Bromo-phenyl)...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3
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19n/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


(Mus musculus)
BDBM50115537
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H40N4O5S/c1-6-38-30-27(23-7-9-25(10-8-23)39(5,36)37)24-12-16-32(17-13-24)29(4)14-19-31(20-15-29)28(34)26-21(2)11-18-33(35)22(26)3/h7-11,18,24H,6,12-17,19-20H2,1-5H3
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115537
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H40N4O5S/c1-6-38-30-27(23-7-9-25(10-8-23)39(5,36)37)24-12-16-32(17-13-24)29(4)14-19-31(20-15-29)28(34)26-21(2)11-18-33(35)22(26)3/h7-11,18,24H,6,12-17,19-20H2,1-5H3
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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


(Mus musculus)
BDBM50115518
PNG
(CHEMBL106099 | CHEMBL138143 | {4-[(4-Chloro-phenyl...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H35ClN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115518
PNG
(CHEMBL106099 | CHEMBL138143 | {4-[(4-Chloro-phenyl...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H35ClN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3
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24n/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


(Mus musculus)
BDBM50115536
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115552
PNG
(CHEMBL107018 | CHEMBL140922 | {4-[(4-Bromo-phenyl)...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H33BrN4O3/c1-3-34-28-24(20-6-8-23(27)9-7-20)21-10-15-30(16-11-21)26(2)12-17-29(18-13-26)25(32)22-5-4-14-31(33)19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3
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>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


(Mus musculus)
BDBM50115552
PNG
(CHEMBL107018 | CHEMBL140922 | {4-[(4-Bromo-phenyl)...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H33BrN4O3/c1-3-34-28-24(20-6-8-23(27)9-7-20)21-10-15-30(16-11-21)26(2)12-17-29(18-13-26)25(32)22-5-4-14-31(33)19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3
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>30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)
BDBM50115516
PNG
(CHEMBL107373 | CHEMBL140283 | {4-[(4-Bromo-phenyl)...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-29-25(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)24-6-5-15-32(34)20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3
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>30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)
BDBM50115535
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[(4-methanesu...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-20-10-17-32(34)21(2)25(20)27(33)30-18-13-28(3,14-19-30)31-15-11-23(12-16-31)26(29-37-4)22-6-8-24(9-7-22)38(5,35)36/h6-10,17,23H,11-16,18-19H2,1-5H3
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells


J Med Chem 45: 3143-60 (2002)


Article DOI: 10.1021/jm0200815
BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115516
PNG
(CHEMBL107373 | CHEMBL140283 | {4-[(4-Bromo-phenyl)...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-29-25(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)24-6-5-15-32(34)20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3
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>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))
BDBM50115536
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
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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))
BDBM50115535
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[(4-methanesu...)
Show SMILES CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-20-10-17-32(34)21(2)25(20)27(33)30-18-13-28(3,14-19-30)31-15-11-23(12-16-31)26(29-37-4)22-6-8-24(9-7-22)38(5,35)36/h6-10,17,23H,11-16,18-19H2,1-5H3
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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))
BDBM50339957
PNG
((E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)
Show SMILES CCO[N-][C+](C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN4O3/c1-4-33-28-24(20-6-8-22(26)9-7-20)21-11-15-29(16-12-21)14-5-13-27-25(31)23-18(2)10-17-30(32)19(23)3/h6-10,17,21H,4-5,11-16H2,1-3H3,(H,27,31)
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n/an/a 180n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells


Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339958
PNG
((E)-3-(2-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C(C)CNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN4O3/c1-5-33-28-24(20-6-8-22(26)9-7-20)21-11-13-29(14-12-21)18(3)16-27-25(31)23-17(2)10-15-30(32)19(23)4/h6-10,15,18,21H,5,11-14,16H2,1-4H3,(H,27,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells


Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339959
PNG
((E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C(C)CCNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C26H35BrN4O3/c1-5-34-29-25(21-6-8-23(27)9-7-21)22-12-15-30(16-13-22)19(3)10-14-28-26(32)24-18(2)11-17-31(33)20(24)4/h6-9,11,17,19,22H,5,10,12-16H2,1-4H3,(H,28,32)
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n/an/a 290n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells


Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339960
PNG
((E)-3-((3-(4-((4-bromophenyl)(ethoxyimino)methyl)p...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C(C)CCN(C)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H37BrN4O3/c1-6-35-29-26(22-7-9-24(28)10-8-22)23-13-16-31(17-14-23)20(3)12-15-30(5)27(33)25-19(2)11-18-32(34)21(25)4/h7-11,18,20,23H,6,12-17H2,1-5H3
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n/an/a 5.62E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells


Bioorg Med Chem Lett 21: 2450-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3
More data for this
Ligand-Target Pair