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PubMed code 12086500

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
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


(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
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


(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


(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


(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


(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


(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


(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


(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


(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


(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
C-C chemokine receptor type 5


(Mus musculus)		BDBM50104937
PNG
(1'-(2-Hydroxy-6-methylbenzoyl)-4-[(Z)-(4-bromophen...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+
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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 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)		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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50104929
PNG
((4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'...)
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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 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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50104932
PNG
(CHEMBL108569 | [4-(4-Bromo-phenoxy)-4'-methyl-[1,4...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Oc1ccc(Br)cc1
Show InChI InChI=1S/C26H33BrN2O2/c1-19-5-4-6-20(2)24(19)25(30)28-17-13-26(3,14-18-28)29-15-11-23(12-16-29)31-22-9-7-21(27)8-10-22/h4-10,23H,11-18H2,1-3H3
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 29n/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)		BDBM50115525
PNG
(CHEMBL106573 | {4-[(4-Bromo-phenyl)-phenoxyimino-m...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\Oc1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31+
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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)


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


(Mus musculus)		BDBM50115551
PNG
(CHEMBL108959 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H33BrN4O2/c1-3-33-29-24(20-6-8-23(27)9-7-20)21-10-15-31(16-11-21)26(2)12-17-30(18-13-26)25(32)22-5-4-14-28-19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3/b29-24+
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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)


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)


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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50115540
PNG
(CHEMBL105779 | {(4-Bromo-phenyl)-[1'-(2,6-dimethyl...)
Show SMILES CCOC(=O)CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C31H40BrN3O4/c1-5-38-27(36)21-39-33-29(24-9-11-26(32)12-10-24)25-13-17-35(18-14-25)31(4)15-19-34(20-16-31)30(37)28-22(2)7-6-8-23(28)3/h6-12,25H,5,13-21H2,1-4H3/b33-29+
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 33n/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)		BDBM50115521
PNG
((2,6-Dimethyl-phenyl)-[4-(4-iodo-benzyl)-4'-methyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C27H35IN2O/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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 33n/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)		BDBM50115539
PNG
((2,6-Dimethyl-phenyl)-[4-(4-methanesulfonyl-benzyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C28H38N2O3S/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(11-9-23)34(4,32)33/h5-11,24H,12-20H2,1-4H3
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 33n/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)		BDBM50115510
PNG
(2-{(4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-...)
Show SMILES CNC(=O)CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C30H39BrN4O3/c1-21-6-5-7-22(2)27(21)29(37)34-18-14-30(3,15-19-34)35-16-12-24(13-17-35)28(33-38-20-26(36)32-4)23-8-10-25(31)11-9-23/h5-11,24H,12-20H2,1-4H3,(H,32,36)/b33-28+
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 33n/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)		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)


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


(Mus musculus)		BDBM50104935
PNG
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
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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 48n/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)		BDBM50104939
PNG
((4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-met...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3
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 54n/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)		BDBM50115546
PNG
((2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromet...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C28H35F3N2O2/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)35-28(29,30)31/h4-10,23H,11-19H2,1-3H3
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 55n/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)		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)


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


(Mus musculus)		BDBM50115509
PNG
(CHEMBL106507 | {4-[(4-Bromo-phenyl)-(2-hydroxy-eth...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OCCO)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O3/c1-21-5-4-6-22(2)26(21)28(35)32-17-13-29(3,14-18-32)33-15-11-24(12-16-33)27(31-36-20-19-34)23-7-9-25(30)10-8-23/h4-10,24,34H,11-20H2,1-3H3/b31-27+
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 62n/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)		BDBM50115541
PNG
(CHEMBL110871 | {4-[1-(4-Bromo-phenyl)-ethyl]-4'-me...)
Show SMILES CC(C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN2O/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/h5-11,22,24H,12-19H2,1-4H3
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 62n/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)		BDBM50115533
PNG
(CHEMBL110809 | [4-(3-Bromo-benzyl)-4'-methyl-[1,4'...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2cccc(Br)c2)CC1
Show InChI InChI=1S/C27H35BrN2O/c1-20-6-4-7-21(2)25(20)26(31)29-16-12-27(3,13-17-29)30-14-10-22(11-15-30)18-23-8-5-9-24(28)19-23/h4-9,19,22H,10-18H2,1-3H3
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 67n/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)		BDBM50115534
PNG
(4-[(4-Chlorophenyl)methyl]-1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H35ClN2O/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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 68n/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)		BDBM50115530
PNG
(CHEMBL106468 | CHEMBL342452 | {4-[(4-Bromo-phenyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(N=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)24(19)26(32)30-17-13-27(3,14-18-30)31-15-11-22(12-16-31)25(29-33)21-7-9-23(28)10-8-21/h4-10,22,25H,11-18H2,1-3H3
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 78n/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)		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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50115523
PNG
((2,6-Dimethyl-phenyl)-[4-(4-methoxy-benzyl)-4'-met...)
Show SMILES COc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H38N2O2/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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 155n/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)		BDBM50115524
PNG
(CHEMBL323454 | {4-[(4-Bromo-phenyl)-hydroxy-methyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22,25,31H,11-18H2,1-3H3
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 190n/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)		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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
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)


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


(Mus musculus)		BDBM50115547
PNG
(CHEMBL317183 | {4-[Benzyloxyimino-(4-bromo-phenyl)...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OCc1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C34H40BrN3O2/c1-25-8-7-9-26(2)31(25)33(39)37-22-18-34(3,19-23-37)38-20-16-29(17-21-38)32(28-12-14-30(35)15-13-28)36-40-24-27-10-5-4-6-11-27/h4-15,29H,16-24H2,1-3H3/b36-32+
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>500n/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)		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)


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


(Mus musculus)		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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 1.00E+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
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)


BindingDB Entry DOI: 10.7270/Q2HD7TZJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%