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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'strizki' and Initial = 'jm'   
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))		BDBM50123438
PNG
((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
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)


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)


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


(Homo sapiens (Human))		BDBM50145684
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES CCC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H40F3N5O/c1-6-7-25(23-8-10-24(11-9-23)29(30,31)32)37-17-16-36(18-20(37)2)28(5)12-14-35(15-13-28)27(38)26-21(3)33-19-34-22(26)4/h8-11,19-20,25H,6-7,12-18H2,1-5H3/t20-,25-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50104942
PNG
((4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3
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 1.30n/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)


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


(Homo sapiens (Human))		BDBM50145681
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES C[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
Show InChI InChI=1S/C33H40F3N5O/c1-23-21-40(32(4)14-16-39(17-15-32)31(42)30-24(2)37-22-38-25(30)3)18-19-41(23)29(20-26-8-6-5-7-9-26)27-10-12-28(13-11-27)33(34,35)36/h5-13,22-23,29H,14-21H2,1-4H3/t23-,29-/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50145686
PNG
((4-{(S)-4-[(S)-2-Cyclopropyl-1-(4-trifluoromethyl-...)
Show SMILES C[C@H]1CN(CCN1[C@@H](CC1CC1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
Show InChI InChI=1S/C30H40F3N5O/c1-20-18-37(29(4)11-13-36(14-12-29)28(39)27-21(2)34-19-35-22(27)3)15-16-38(20)26(17-23-5-6-23)24-7-9-25(10-8-24)30(31,32)33/h7-10,19-20,23,26H,5-6,11-18H2,1-4H3/t20-,26-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104946
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115528
PNG
((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+
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 2n/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)


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


(Mus musculus)		BDBM50115512
PNG
(CHEMBL324671 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26+
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 2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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

J Med Chem 45: 3143-60 (2002)


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


(Mus musculus)		BDBM50104931
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[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/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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 2.10n/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)


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


(Homo sapiens (Human))		BDBM50104946
PNG
((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50145685
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-met...)
Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123436
PNG
((3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1
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 2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123435
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104950
PNG
((2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanes...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H41N3O3S/c1-21-8-7-9-22(2)27(21)28(33)30-16-14-29(5,15-17-30)31-18-19-32(23(3)20-31)24(4)25-10-12-26(13-11-25)36(6,34)35/h7-13,23-24H,14-20H2,1-6H3/t23-,24-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115511
PNG
(CHEMBL321413 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(F)cccc1C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C28H32BrF4N3O2/c1-3-38-34-25(19-7-9-21(29)10-8-19)20-11-15-36(16-12-20)27(2)13-17-35(18-14-27)26(37)24-22(28(31,32)33)5-4-6-23(24)30/h4-10,20H,3,11-18H2,1-2H3/b34-25+
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 3n/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)


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


(Homo sapiens (Human))		BDBM50123435
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability of compound to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50104936
PNG
((2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-met...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+
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 3.40n/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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
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)


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


(Mus musculus)		BDBM50115550
PNG
(CHEMBL109008 | {4-[(4-Bromo-phenyl)-isopropoxyimin...)
Show SMILES CC(C)O\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C30H40BrN3O2/c1-21(2)36-32-28(24-9-11-26(31)12-10-24)25-13-17-34(18-14-25)30(5)15-19-33(20-16-30)29(35)27-22(3)7-6-8-23(27)4/h6-12,21,25H,13-20H2,1-5H3/b32-28+
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 4n/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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50104938
PNG
((2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-met...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+
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 4.5n/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)


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


(Homo sapiens (Human))		BDBM50104958
PNG
((2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-meth...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H37ClN4O3S/c1-19-18-31(16-17-32(19)20(2)21-8-10-22(11-9-21)36(4,34)35)27(3)12-14-30(15-13-27)26(33)25-23(28)6-5-7-24(25)29/h5-11,19-20H,12-18,29H2,1-4H3/t19-,20-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104955
PNG
((2-Amino-6-chloro-phenyl)-(4-methyl-4-{(S)-3-methy...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H34ClF3N4O/c1-18-17-34(15-16-35(18)19(2)20-7-9-21(10-8-20)27(29,30)31)26(3)11-13-33(14-12-26)25(36)24-22(28)5-4-6-23(24)32/h4-10,18-19H,11-17,32H2,1-3H3/t18-,19-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104953
PNG
((2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(I)cc1
Show InChI InChI=1S/C26H34ClIN4O/c1-18-17-31(15-16-32(18)19(2)20-7-9-21(28)10-8-20)26(3)11-13-30(14-12-26)25(33)24-22(27)5-4-6-23(24)29/h4-10,18-19H,11-17,29H2,1-3H3/t18-,19-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104952
PNG
((2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phe...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1
Show InChI InChI=1S/C28H38IN3O/c1-20-7-6-8-21(2)26(20)27(33)30-15-13-28(5,14-16-30)31-17-18-32(22(3)19-31)23(4)24-9-11-25(29)12-10-24/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104944
PNG
((2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H36F3N3O2/c1-19-6-5-7-24(35)25(19)26(36)32-14-12-27(4,13-15-32)33-16-17-34(20(2)18-33)21(3)22-8-10-23(11-9-22)28(29,30)31/h5-11,20-21,35H,12-18H2,1-4H3/t20-,21-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123445
PNG
((3,5-Dimethyl-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-16-32-17-20(2)25(19)26(36)33-12-10-27(5,11-13-33)34-14-15-35(21(3)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1
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 5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50145682
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES CC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O/c1-6-24(22-7-9-23(10-8-22)28(29,30)31)36-16-15-35(17-19(36)2)27(5)11-13-34(14-12-27)26(37)25-20(3)32-18-33-21(25)4/h7-10,18-19,24H,6,11-17H2,1-5H3/t19-,24-/m0/s1
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 5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against C-C chemokine receptor type 5

J Med Chem 47: 2405-8 (2004)


Article DOI: 10.1021/jm0304515
BindingDB Entry DOI: 10.7270/Q26W99H9
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Homo sapiens (Human))		BDBM50104954
PNG
((2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
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)


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


(Homo sapiens (Human))		BDBM50104956
PNG
((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115522
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(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H35F3N4O4/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)39-28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3
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 7.60n/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)


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


(Homo sapiens (Human))		BDBM50104949
PNG
((2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-...)
Show SMILES C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C
Show InChI InChI=1S/C27H36IN3O/c1-20-6-5-7-21(2)25(20)26(32)29-14-12-27(4,13-15-29)31-17-16-30(22(3)18-31)19-23-8-10-24(28)11-9-23/h5-11,22H,12-19H2,1-4H3/t22-/m0/s1
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 8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115542
PNG
(CHEMBL107154 | {4-[1-(4-Bromo-phenyl)-vinyl]-4'-me...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H35BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,24H,3,12-19H2,1-2,4H3
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 8n/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)


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


(Mus musculus)		BDBM50115529
PNG
(CHEMBL418997 | {4-[(4-Bromo-phenyl)-tert-butoxyimi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OC(C)(C)C)\c1ccc(Br)cc1
Show InChI InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+
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 9n/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)


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


(Homo sapiens (Human))		BDBM50123444
PNG
((4,6-Dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-(4...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H35F6N5O/c1-17-16-38(14-15-39(17)20(4)21-6-8-22(9-7-21)27(29,30)31)26(5)10-12-37(13-11-26)24(40)23-18(2)35-25(28(32,33)34)36-19(23)3/h6-9,17,20H,10-16H2,1-5H3/t17-,20-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123442
PNG
((4-Methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromet...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O/c1-18-17-35(15-16-36(18)21(4)23-7-9-24(10-8-23)28(29,30)31)27(6)11-13-34(14-12-27)26(37)25-19(2)32-22(5)33-20(25)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123437
PNG
((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...)
Show SMILES COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1
Show InChI InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123443
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(S)-1-(4-...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(I)cc1
Show InChI InChI=1S/C26H36IN5O/c1-18-16-31(14-15-32(18)21(4)22-6-8-23(27)9-7-22)26(5)10-12-30(13-11-26)25(33)24-19(2)28-17-29-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123446
PNG
((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H36F3N5O2/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)37-27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50123439
PNG
((4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-methyl-4...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)-c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C33H40F3N5O/c1-22-21-40(19-20-41(22)25(4)26-11-13-28(14-12-26)33(34,35)36)32(5)15-17-39(18-16-32)31(42)29-23(2)37-30(38-24(29)3)27-9-7-6-8-10-27/h6-14,22,25H,15-21H2,1-5H3/t22-,25-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells

Bioorg Med Chem Lett 13: 567-71 (2003)


BindingDB Entry DOI: 10.7270/Q28K78G6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50104951
PNG
((2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-io...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(I)cc1
Show InChI InChI=1S/C27H36IN3O2/c1-19-6-5-7-24(32)25(19)26(33)29-14-12-27(4,13-15-29)30-16-17-31(20(2)18-30)21(3)22-8-10-23(28)11-9-22/h5-11,20-21,32H,12-18H2,1-4H3/t20-,21-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115526
PNG
(CHEMBL107363 | {4-[(4-Bromo-phenyl)-(2-methoxy-eth...)
Show SMILES COCCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C30H40BrN3O3/c1-22-6-5-7-23(2)27(22)29(35)33-18-14-30(3,15-19-33)34-16-12-25(13-17-34)28(32-37-21-20-36-4)24-8-10-26(31)11-9-24/h5-11,25H,12-21H2,1-4H3/b32-28+
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 12n/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)


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


(Homo sapiens (Human))		BDBM50104959
PNG
((2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-me...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H39N3O4S/c1-20-7-6-8-25(32)26(20)27(33)29-15-13-28(4,14-16-29)30-17-18-31(21(2)19-30)22(3)23-9-11-24(12-10-23)36(5,34)35/h6-12,21-22,32H,13-19H2,1-5H3/t21-,22-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards C-C chemokine receptor type 5

J Med Chem 44: 3343-6 (2001)


BindingDB Entry DOI: 10.7270/Q23X85X2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Mus musculus)		BDBM50115538
PNG
(4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-meth...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccc[n+]1[O-])c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-29-24(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)25-20(2)6-5-15-32(25)34/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b29-24+
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 16n/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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
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