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PubMed code 16154744

Compile data set for download or QSAR
Found 32 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))		BDBM50173389
PNG
(CHEMBL198150 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173388
PNG
(CHEMBL197641 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H37F3N2O3S/c1-3-37(31(38)23-24-9-15-29(16-10-24)41(2,39)40)28-17-20-36(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33,34)35/h4-16,28,30H,3,17-23H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173383
PNG
(CHEMBL199118 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C39H45N3O4S/c1-3-42(39(44)29-31-14-20-36(21-15-31)47(2,45)46)35-22-25-41(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)40-38(43)28-30-10-6-4-7-11-30/h4-21,35,37H,3,22-29H2,1-2H3,(H,40,43)
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n/an/a 5.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173398
PNG
(CHEMBL371691 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(OC)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40N2O4S/c1-4-34(32(35)24-25-10-16-30(17-11-25)39(3,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-14-29(38-2)15-13-27/h5-17,28,31H,4,18-24H2,1-3H3
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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173393
PNG
(4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acety...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(=O)OC)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H40N2O5S/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(3,38)39)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33(37)40-2/h5-17,29,31H,4,18-24H2,1-3H3
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n/an/a 7.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173391
PNG
(CHEMBL370826 | N-{1-[3-(4-Acetylamino-phenyl)-3-(3...)
Show SMILES CCN(C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H40FN3O4S/c1-4-37(33(39)22-25-8-14-31(15-9-25)42(3,40)41)30-16-19-36(20-17-30)21-18-32(27-6-5-7-28(34)23-27)26-10-12-29(13-11-26)35-24(2)38/h5-15,23,30,32H,4,16-22H2,1-3H3,(H,35,38)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173378
PNG
(CHEMBL198277 | N-{1-[3-(4-Chloro-phenyl)-3-phenyl-...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H37ClN2O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23H2,1-2H3
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n/an/a 8.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173382
PNG
(CHEMBL373214 | N-Ethyl-N-{1-[3-(3-fluoro-phenyl)-3...)
Show SMILES CCN(C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40FN3O5S2/c1-4-36(32(37)22-24-8-14-30(15-9-24)42(2,38)39)29-16-19-35(20-17-29)21-18-31(26-6-5-7-27(33)23-26)25-10-12-28(13-11-25)34-43(3,40)41/h5-15,23,29,31,34H,4,16-22H2,1-3H3
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n/an/a 9.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173380
PNG
(CHEMBL372733 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C38H45N3O5S2/c1-3-41(38(42)28-30-14-20-36(21-15-30)47(2,43)44)35-22-25-40(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)39-48(45,46)29-31-10-6-4-7-11-31/h4-21,35,37,39H,3,22-29H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173395
PNG
(CHEMBL372134 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(SC)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40N2O3S2/c1-4-34(32(35)24-25-10-16-30(17-11-25)39(3,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-14-29(38-2)15-13-27/h5-17,28,31H,4,18-24H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50157000
PNG
(CHEMBL180155 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173376
PNG
(CHEMBL198114 | N-Ethyl-N-{1-[3-(4-methanesulfonyla...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H41N3O5S2/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(2,37)38)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33-42(3,39)40/h5-17,29,31,33H,4,18-24H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50157032
PNG
(CHEMBL369311 | N-[1-(3,3-Diphenyl-propyl)-piperidi...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H38N2O3S/c1-3-33(31(34)24-25-14-16-29(17-15-25)37(2,35)36)28-18-21-32(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173386
PNG
(CHEMBL370998 | N-{1-[3-(4-Chloro-phenyl)-3-(3-fluo...)
Show SMILES CCN(C1CCN(CCC(c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H36ClFN2O3S/c1-3-35(31(36)21-23-7-13-29(14-8-23)39(2,37)38)28-15-18-34(19-16-28)20-17-30(24-9-11-26(32)12-10-24)25-5-4-6-27(33)22-25/h4-14,22,28,30H,3,15-21H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173397
PNG
(CHEMBL370552 | N-{4-[3-(4-{Ethyl-[2-(4-methanesulf...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H47N3O4S/c1-6-39(34(40)26-27-12-18-32(19-13-27)44(5,42)43)31-20-23-38(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)37-35(41)36(2,3)4/h7-19,31,33H,6,20-26H2,1-5H3,(H,37,41)
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173376
PNG
(CHEMBL198114 | N-Ethyl-N-{1-[3-(4-methanesulfonyla...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H41N3O5S2/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(2,37)38)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33-42(3,39)40/h5-17,29,31,33H,4,18-24H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MIP-1beta stimulated calcium transients in CCR5-expressing CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173374
PNG
(CHEMBL198497 | N-{1-[3-(4-Acetylamino-phenyl)-3-ph...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H41N3O4S/c1-4-36(33(38)24-26-10-16-31(17-11-26)41(3,39)40)30-18-21-35(22-19-30)23-20-32(27-8-6-5-7-9-27)28-12-14-29(15-13-28)34-25(2)37/h5-17,30,32H,4,18-24H2,1-3H3,(H,34,37)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173381
PNG
(CHEMBL197714 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40N2O3S/c1-4-34(32(35)24-26-12-16-30(17-13-26)38(3,36)37)29-18-21-33(22-19-29)23-20-31(27-8-6-5-7-9-27)28-14-10-25(2)11-15-28/h5-17,29,31H,4,18-24H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50157026
PNG
(CHEMBL182074 | N-Cyclopropyl-N-[1-(3,3-diphenyl-pr...)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C32H38N2O3S/c1-38(36,37)30-16-12-25(13-17-30)24-32(35)34(28-14-15-28)29-18-21-33(22-19-29)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,28-29,31H,14-15,18-24H2,1H3
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173384
PNG
(CHEMBL197907 | N-{1-[3-(3-Chloro-phenyl)-3-phenyl-...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H37ClN2O3S/c1-3-34(31(35)22-24-12-14-29(15-13-24)38(2,36)37)28-16-19-33(20-17-28)21-18-30(25-8-5-4-6-9-25)26-10-7-11-27(32)23-26/h4-15,23,28,30H,3,16-22H2,1-2H3
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173392
PNG
(CHEMBL371865 | N-{1-[3-(3,4-Dichloro-phenyl)-3-phe...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H36Cl2N2O3S/c1-3-35(31(36)21-23-9-12-27(13-10-23)39(2,37)38)26-15-18-34(19-16-26)20-17-28(24-7-5-4-6-8-24)25-11-14-29(32)30(33)22-25/h4-14,22,26,28H,3,15-21H2,1-2H3
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n/an/a 78n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173377
PNG
(CHEMBL372297 | N-[1-(3-Biphenyl-4-yl-3-phenyl-prop...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)-c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H42N2O3S/c1-3-39(37(40)28-29-14-20-35(21-15-29)43(2,41)42)34-22-25-38(26-23-34)27-24-36(32-12-8-5-9-13-32)33-18-16-31(17-19-33)30-10-6-4-7-11-30/h4-21,34,36H,3,22-28H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50410486
PNG
(CHEMBL2113131)
Show SMILES CCN(C1CCN(CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C36H46FN3O5S/c1-6-40(34(41)24-26-10-16-32(17-11-26)46(5,43)44)31-18-21-39(22-19-31)23-20-33(28-8-7-9-29(37)25-28)27-12-14-30(15-13-27)38-35(42)45-36(2,3)4/h7-17,25,31,33H,6,18-24H2,1-5H3,(H,38,42)
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n/an/a 89n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173387
PNG
(CHEMBL372640 | N-{1-[3-(4-Amino-phenyl)-3-(3-fluor...)
Show SMILES CCN(C1CCN(CCC(c2ccc(N)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H38FN3O3S/c1-3-35(31(36)21-23-7-13-29(14-8-23)39(2,37)38)28-15-18-34(19-16-28)20-17-30(24-9-11-27(33)12-10-24)25-5-4-6-26(32)22-25/h4-14,22,28,30H,3,15-21,33H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173385
PNG
(CHEMBL199119 | N-{4-[3-(4-{Ethyl-[2-(4-methanesulf...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C38H43N3O4S/c1-3-41(37(42)28-29-14-20-35(21-15-29)46(2,44)45)34-22-25-40(26-23-34)27-24-36(30-10-6-4-7-11-30)31-16-18-33(19-17-31)39-38(43)32-12-8-5-9-13-32/h4-21,34,36H,3,22-28H2,1-2H3,(H,39,43)
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173396
PNG
(CHEMBL382079 | N-{1-[3-(4-tert-Butoxyamino-phenyl)...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C35H47N3O4S/c1-6-38(34(39)26-27-12-18-32(19-13-27)43(5,40)41)31-20-23-37(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)36-42-35(2,3)4/h7-19,31,33,36H,6,20-26H2,1-5H3
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173373
PNG
(CHEMBL369947 | N-{1-[3-(4-Amino-phenyl)-3-phenyl-p...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(N)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N3O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23,32H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173390
PNG
(4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acety...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(N)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H39N3O4S/c1-3-35(31(36)23-24-9-15-29(16-10-24)40(2,38)39)28-17-20-34(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33)37/h4-16,28,30H,3,17-23H2,1-2H3,(H2,33,37)
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173394
PNG
(CHEMBL199258 | N-Ethyl-N-{1-[3-(4-fluoro-phenyl)-3...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H37FN2O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173371
PNG
(CHEMBL198884 | N-{1-[3-(4-Benzenesulfonylamino-phe...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C37H43N3O5S2/c1-3-40(37(41)28-29-14-20-34(21-15-29)46(2,42)43)33-22-25-39(26-23-33)27-24-36(30-10-6-4-7-11-30)31-16-18-32(19-17-31)38-47(44,45)35-12-8-5-9-13-35/h4-21,33,36,38H,3,22-28H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173379
PNG
(CHEMBL372852 | N-{1-[3,3-Bis-(4-chloro-phenyl)-pro...)
Show SMILES CCN(C1CCN(CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H36Cl2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3
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n/an/a 760n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173399
PNG
(CHEMBL199147 | N-(1-(3,3-bis(4-fluorophenyl)propyl...)
Show SMILES CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H36F2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%