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PubMed code 11720851

Compile data set for download or QSAR
Found 52 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))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096540
PNG
((2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfo...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106940
PNG
((R)-3-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C33H35ClN4O2/c34-28-10-6-9-25(19-28)26(15-18-37-16-13-24(14-17-37)23-7-2-1-3-8-23)22-38-32(39)31(36-33(38)40)20-27-21-35-30-12-5-4-11-29(27)30/h1-12,19,21,24,26,35,39H,13-18,20,22H2,(H,36,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106940
PNG
((R)-3-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C33H35ClN4O2/c34-28-10-6-9-25(19-28)26(15-18-37-16-13-24(14-17-37)23-7-2-1-3-8-23)22-38-32(39)31(36-33(38)40)20-27-21-35-30-12-5-4-11-29(27)30/h1-12,19,21,24,26,35,39H,13-18,20,22H2,(H,36,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096515
PNG
((2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenyls...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106935
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H44ClN5O4/c1-3-43(37(47)48-25-27-10-5-4-6-11-27)31-16-19-42(20-17-31)21-18-38(2,29-12-9-13-30(39)23-29)26-44-35(45)34(41-36(44)46)22-28-24-40-33-15-8-7-14-32(28)33/h4-15,23-24,31,40,45H,3,16-22,25-26H2,1-2H3,(H,41,46)
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106933
PNG
((R)-3-[2-(3-Chloro-phenyl)-2-methyl-4-(4-phenyl-pi...)
Show SMILES CC(CCN1CCC(CC1)c1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C34H37ClN4O2/c1-34(27-10-7-11-28(35)21-27,16-19-38-17-14-25(15-18-38)24-8-3-2-4-9-24)23-39-32(40)31(37-33(39)41)20-26-22-36-30-13-6-5-12-29(26)30/h2-13,21-22,25,36,40H,14-20,23H2,1H3,(H,37,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106941
PNG
(5-benzyl-3-{2-(3-chlorophenyl)-4-[3-oxospiro[2,3-d...)
Show SMILES Oc1c(Cc2ccccc2)[nH]c(=O)n1CC(CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C33H34ClN3O3/c34-26-10-6-9-24(20-26)25(22-37-31(39)29(35-32(37)40)19-23-7-2-1-3-8-23)13-16-36-17-14-33(15-18-36)21-30(38)27-11-4-5-12-28(27)33/h1-12,20,25,39H,13-19,21-22H2,(H,35,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106937
PNG
((R)-5-Benzyl-3-[2-(3-chloro-phenyl)-4-(4-phenyl-pi...)
Show SMILES Oc1c(Cc2ccccc2)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C31H34ClN3O2/c32-28-13-7-12-26(21-28)27(16-19-34-17-14-25(15-18-34)24-10-5-2-6-11-24)22-35-30(36)29(33-31(35)37)20-23-8-3-1-4-9-23/h1-13,21,25,27,36H,14-20,22H2,(H,33,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50106936
PNG
(3-{2-(3-chlorophenyl)-4-[3-oxospiro[2,3-dihydro-1H...)
Show SMILES Oc1c([nH]c(=O)n1CC(CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C32H32ClN3O3/c33-25-10-6-9-23(19-25)24(21-36-30(38)29(34-31(36)39)22-7-2-1-3-8-22)13-16-35-17-14-32(15-18-35)20-28(37)26-11-4-5-12-27(26)32/h1-12,19,24,38H,13-18,20-21H2,(H,34,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096513
PNG
(1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihyd...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C31H34Cl2N2O2S/c1-34(30(36)19-23-7-3-2-4-8-23)21-25(24-11-12-27(32)28(33)20-24)13-16-35-17-14-31(15-18-35)22-38(37)29-10-6-5-9-26(29)31/h2-12,20,25H,13-19,21-22H2,1H3/t25-,38?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106938
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106932
PNG
((1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmet...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106929
PNG
(Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106930
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106931
PNG
(CHEMBL106907 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-X-C chemokine receptor type 4

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50106939
PNG
(Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45)
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 1

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50106934
PNG
(CHEMBL317860 | Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylme...)
Show SMILES CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against C-C chemokine receptor type 2

Bioorg Med Chem Lett 11: 3099-102 (2001)


BindingDB Entry DOI: 10.7270/Q2KK9B26
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%