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11 similar compounds to monomer 50134073

Compile data set for download or QSAR
Wt: 541.5
BDBM50104933
Wt: 527.4
BDBM50104940
Wt: 543.4
BDBM50115515
Wt: 557.5
BDBM50115517
Wt: 527.4
BDBM50115519
Wt: 557.5
BDBM50115532
Wt: 541.5
BDBM50134044
Wt: 543.4
BDBM50134053
Wt: 527.4
BDBM50134057
Wt: 527.4
BDBM50134072
Wt: 557.5
BDBM50134082

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50104933,50104940,50115515,50115517,50115519,50115532,50134044,50134053,50134057,50134072,50134082   
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)
BDBM50104940
PNG
(CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+
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1.10n/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)
BDBM50104933
PNG
(CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
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1.10n/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))
BDBM50104940
PNG
(CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+
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1.10n/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


(Homo sapiens (Human))
BDBM50134072
PNG
((4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'...)
Show SMILES CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25-
PDB

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1.10n/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))
BDBM50134044
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26-
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1.10n/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))
BDBM50104933
PNG
(CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
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1.10n/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)
BDBM50115517
PNG
(CHEMBL110757 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)[nH]c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-31-26(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)25-19(2)18-24(34)30-20(25)3/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-26+
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7n/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))
BDBM50134057
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25-
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26n/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)
BDBM50115519
PNG
(4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-meth...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25+
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26n/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))
BDBM50134053
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[nH]c1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-30-24(20-5-7-22(28)8-6-20)21-10-15-32(16-11-21)27(3)12-17-31(18-13-27)26(34)23-19(2)9-14-29-25(23)33/h5-9,14,21H,4,10-13,15-18H2,1-3H3,(H,29,33)/b30-24-
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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)
BDBM50115515
PNG
(CHEMBL322267 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[nH]c1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-30-24(20-5-7-22(28)8-6-20)21-10-15-32(16-11-21)27(3)12-17-31(18-13-27)26(34)23-19(2)9-14-29-25(23)33/h5-9,14,21H,4,10-13,15-18H2,1-3H3,(H,29,33)/b30-24+
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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))
BDBM50134082
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25-
PDB

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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


(Mus musculus)
BDBM50115532
PNG
(4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-1'-[(2-...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25+
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43n/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