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PubMed code 11585437

Compile data set for download or QSAR
Found 17 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


(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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 1n/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)


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


(Homo sapiens (Human))		BDBM50104933
PNG
(CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		BDBM50104940
PNG
(CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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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 1.80n/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)


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


(Homo sapiens (Human))		BDBM50104930
PNG
((Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-[1,4...)
Show SMILES CO\N=C(/C1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)25(19)27(32)31-17-13-24(14-18-31)30-15-11-22(12-16-30)26(29-33-3)21-7-9-23(28)10-8-21/h4-10,22,24H,11-18H2,1-3H3/b29-26-
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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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		BDBM50104934
PNG
(CHEMBL292625 | [4-(4-Bromo-phenylamino)-4'-methyl-...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1
Show InChI InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3
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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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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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 11n/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)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


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



Schering-Plough Research Institute

Curated by ChEMBL


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

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


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


(Homo sapiens (Human))		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 C-C chemokine receptor type 5

J Med Chem 44: 3339-42 (2001)


BindingDB Entry DOI: 10.7270/Q27M0771
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)


BindingDB Entry DOI: 10.7270/Q27M0771
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%