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PubMed code 16821774

Compile data set for download or QSAR
Found 86 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))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 2.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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n/an/a 4.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 6.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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n/an/a 17n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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n/an/a 38n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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n/an/a 50n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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n/an/a 83n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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n/an/a 120n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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n/an/a 120n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 170n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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n/an/a 170n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 183n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to sigma receptor

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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n/an/a 270n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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n/an/a 500n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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n/an/a 560n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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n/an/a 900n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190514
PNG
((3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190512
PNG
((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190526
PNG
((3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190517
PNG
((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190514
PNG
((3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190514
PNG
((3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190512
PNG
((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190519
PNG
((3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190514
PNG
((3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190512
PNG
((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190515
PNG
((3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190512
PNG
((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...)
Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190517
PNG
((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190526
PNG
((3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190517
PNG
((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190517
PNG
((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190526
PNG
((3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190526
PNG
((3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...)
Show SMILES CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190522
PNG
((RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%