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11 similar compounds to monomer 50142822

Compile data set for download or QSAR
Wt: 483.4
BDBM50104943
Wt: 472.5
BDBM50115543
Wt: 450.6
BDBM50115544
Wt: 480.6
BDBM50115545
Wt: 418.6
BDBM50115513
Wt: 446.6
BDBM50115514
Wt: 404.5
BDBM50115520
Wt: 419.6
BDBM50143749
Wt: 509.7
BDBM50143758
Wt: 501.7
BDBM50142802
Wt: 461.6
BDBM50142803

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50104943,50115543,50115544,50115545,50115513,50115514,50115520,50143749,50143758,50142802,50142803   
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50142803
PNG
(CHEMBL49975 | N-Isopropyl-4-[1'-(2-methyl-benzoyl)...)
Show SMILES CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C29H39N3O2/c1-21(2)30-28(33)25-10-8-23(9-11-25)20-24-12-16-31(17-13-24)26-14-18-32(19-15-26)29(34)27-7-5-4-6-22(27)3/h4-11,21,24,26H,12-20H2,1-3H3,(H,30,33)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50142802
PNG
(CHEMBL51339 | N-Cyclohexyl-4-[1'-(2-methyl-benzoyl...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C32H43N3O2/c1-24-7-5-6-10-30(24)32(37)35-21-17-29(18-22-35)34-19-15-26(16-20-34)23-25-11-13-27(14-12-25)31(36)33-28-8-3-2-4-9-28/h5-7,10-14,26,28-29H,2-4,8-9,15-23H2,1H3,(H,33,36)
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against cloned human muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 14: 1791-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.033
BindingDB Entry DOI: 10.7270/Q22N51QH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50115543
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromet...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H35F3N2O/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)28(29,30)31/h4-10,23H,11-19H2,1-3H3
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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


(Mus musculus)
BDBM50115543
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromet...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H35F3N2O/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)28(29,30)31/h4-10,23H,11-19H2,1-3H3
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25n/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)
BDBM50104943
PNG
(4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
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58n/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))
BDBM50104943
PNG
(4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
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58n/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))
BDBM50104943
PNG
(4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
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66n/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)
BDBM50115544
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methylsulfan...)
Show SMILES CSc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
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86n/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))
BDBM50115544
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methylsulfan...)
Show SMILES CSc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
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86n/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))
BDBM50115513
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methyl-benzy...)
Show SMILES Cc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3
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110n/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)
BDBM50115513
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methyl-benzy...)
Show SMILES Cc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3
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113n/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)
BDBM50115520
PNG
((4-Benzyl-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3
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282n/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))
BDBM50115545
PNG
((4-Biphenyl-4-ylmethyl-4'-methyl-[1,4']bipiperidin...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3
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360n/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)
BDBM50115545
PNG
((4-Biphenyl-4-ylmethyl-4'-methyl-[1,4']bipiperidin...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3
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363n/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)
BDBM50115514
PNG
(1-{4-[1'-(2,6-Dimethyl-benzoyl)-4'-methyl-[1,4']bi...)
Show SMILES CC(=O)c1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
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596n/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))
BDBM50115514
PNG
(1-{4-[1'-(2,6-Dimethyl-benzoyl)-4'-methyl-[1,4']bi...)
Show SMILES CC(=O)c1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
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596n/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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50104943
PNG
(4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
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1.32E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Muscarinic acetylcholine receptor M2


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))
BDBM50143749
PNG
((4-Benzylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)NCc1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-21-8-7-9-22(2)25(21)26(31)29-18-14-27(3,15-19-29)30-16-12-24(13-17-30)28-20-23-10-5-4-6-11-23/h4-11,24,28H,12-20H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143749
PNG
((4-Benzylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)NCc1ccccc1
Show InChI InChI=1S/C27H37N3O/c1-21-8-7-9-22(2)25(21)26(31)29-18-14-27(3,15-19-29)30-16-12-24(13-17-30)28-20-23-10-5-4-6-11-23/h4-11,24,28H,12-20H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against human C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143758
PNG
((4-Dibenzylamino-4'-methyl-[1,4']bipiperidinyl-1'-...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C34H43N3O/c1-27-11-10-12-28(2)32(27)33(38)35-23-19-34(3,20-24-35)37-21-17-31(18-22-37)36(25-29-13-6-4-7-14-29)26-30-15-8-5-9-16-30/h4-16,31H,17-26H2,1-3H3
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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against human C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair