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PubMed code 23656360

Compile data set for download or QSAR
Found 23 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
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434066
PNG
(CHEMBL2381331)
Show SMILES CC1CCCN(CC(O)COc2ccc3c4CCCc4c(=O)oc3c2)C1
Show InChI InChI=1S/C21H27NO4/c1-14-4-3-9-22(11-14)12-15(23)13-25-16-7-8-18-17-5-2-6-19(17)21(24)26-20(18)10-16/h7-8,10,14-15,23H,2-6,9,11-13H2,1H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434065
PNG
(CHEMBL1729831)
Show SMILES Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C25H28N2O4/c1-17-12-21(25-18(2)14-24(29)31-22(25)13-17)30-16-23(28)26-20-8-10-27(11-9-20)15-19-6-4-3-5-7-19/h3-7,12-14,20H,8-11,15-16H2,1-2H3,(H,26,28)
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n/an/a 1.49E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434064
PNG
(CHEMBL2381332)
Show SMILES COc1ccccc1C(CNC(=O)c1cc(on1)-c1ccc(Br)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C25H28BrN3O3/c1-17-11-13-29(14-12-17)22(20-5-3-4-6-23(20)31-2)16-27-25(30)21-15-24(32-28-21)18-7-9-19(26)10-8-18/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,27,30)
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n/an/a 1.87E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434063
PNG
(CHEMBL2381333)
Show SMILES CCC1CCCCN1CCCNC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H30ClN3O2S/c1-3-17-7-4-5-11-26(17)12-6-10-24-21(27)15-29-20-14-22(28)25(2)19-9-8-16(23)13-18(19)20/h8-9,13-14,17H,3-7,10-12,15H2,1-2H3,(H,24,27)
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n/an/a 2.16E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434062
PNG
(CHEMBL1570388)
Show SMILES CN(CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O)Cc1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c1-26(16-17-9-4-3-5-10-17)14-8-13-25-23(28)21-15-19-22(30-21)18-11-6-7-12-20(18)27(2)24(19)29/h3-7,9-12,15H,8,13-14,16H2,1-2H3,(H,25,28)
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n/an/a 2.21E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434061
PNG
(CHEMBL2381334)
Show SMILES CC1CCCCN1CCNC(=O)c1noc-2c1COc1ccc(C)cc-21
Show InChI InChI=1S/C20H25N3O3/c1-13-6-7-17-15(11-13)19-16(12-25-17)18(22-26-19)20(24)21-8-10-23-9-4-3-5-14(23)2/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,21,24)
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n/an/a 2.64E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434060
PNG
(CHEMBL1430708)
Show SMILES CCC(C(=O)NCCCN(CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O
Show InChI InChI=1S/C27H32N4O2S/c1-4-22(26(32)28-16-11-17-30(5-2)18-20-12-7-6-8-13-20)31-27(33)24-21-14-9-10-15-23(21)34-25(24)19(3)29-31/h6-10,12-15,22H,4-5,11,16-18H2,1-3H3,(H,28,32)
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n/an/a 2.78E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434059
PNG
(CHEMBL2381335)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2noc-3c2COc2ccc(C)cc-32)C1
Show InChI InChI=1S/C22H29N3O3/c1-14-5-6-19-17(10-14)21-18(13-27-19)20(24-28-21)22(26)23-7-4-8-25-11-15(2)9-16(3)12-25/h5-6,10,15-16H,4,7-9,11-13H2,1-3H3,(H,23,26)
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n/an/a 2.92E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434058
PNG
(CHEMBL2381336)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(s1)N1CCc2ccccc12
Show InChI InChI=1S/C23H29N3OS/c27-23(25-15-11-19(12-16-25)24-13-4-1-5-14-24)21-8-9-22(28-21)26-17-10-18-6-2-3-7-20(18)26/h2-3,6-9,19H,1,4-5,10-17H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434057
PNG
(CHEMBL2381337)
Show SMILES CCCCN(CC)CCNC(=O)c1ccc(s1)N1CCc2ccccc12
Show InChI InChI=1S/C21H29N3OS/c1-3-5-14-23(4-2)16-13-22-21(25)19-10-11-20(26-19)24-15-12-17-8-6-7-9-18(17)24/h6-11H,3-5,12-16H2,1-2H3,(H,22,25)
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n/an/a 3.89E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434056
PNG
(CHEMBL2381338)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ncc(CN2CCC(C2)c2ccccc2)s1
Show InChI InChI=1S/C22H23N3OS/c1-16-7-9-18(10-8-16)21(26)24-22-23-13-20(27-22)15-25-12-11-19(14-25)17-5-3-2-4-6-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,24,26)
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n/an/a 4.35E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434067
PNG
(CHEMBL2381330)
Show SMILES CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCN2CCOCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c1-2-20-9-11-21(12-10-20)29-25(34)18-37-27-30-23-7-4-3-6-22(23)26(35)32(27)13-5-8-24(33)28-19-31-14-16-36-17-15-31/h3-4,6-7,9-12H,2,5,8,13-19H2,1H3,(H,28,33)(H,29,34)
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n/an/a 4.74E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CXCR7 (unknown origin)

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434055
PNG
(CHEMBL2381215)
Show SMILES CC1CCCCN1CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1
Show InChI InChI=1S/C20H23ClN2OS2/c1-13-4-2-3-8-23(13)9-7-22-20(24)18-10-14-12-25-17-11-15(21)5-6-16(17)19(14)26-18/h5-6,10-11,13H,2-4,7-9,12H2,1H3,(H,22,24)
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n/an/a 5.27E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434054
PNG
(CHEMBL2381216)
Show SMILES CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCN(CCO)CC2)cc1 |c:10|
Show InChI InChI=1S/C18H24N4O2S/c1-20(2)15-5-3-14(4-6-15)13-16-17(24)19-18(25-16)22-9-7-21(8-10-22)11-12-23/h3-6,13,23H,7-12H2,1-2H3/b16-13-
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n/an/a 5.36E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434053
PNG
(CHEMBL2381217)
Show SMILES CN(Cc1ccccc1NC(=O)\C=C\c1cnn(c1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C26H30N4O/c1-29(23-11-4-2-5-12-23)20-22-10-8-9-15-25(22)28-26(31)17-16-21-18-27-30(19-21)24-13-6-3-7-14-24/h3,6-10,13-19,23H,2,4-5,11-12,20H2,1H3,(H,28,31)/b17-16+
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n/an/a 5.84E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434052
PNG
(CHEMBL2381218)
Show SMILES CCN1CCCC1CNC(=O)CN1C(=O)\C(Sc2ccccc12)=C\c1ccccc1F
Show InChI InChI=1S/C24H26FN3O2S/c1-2-27-13-7-9-18(27)15-26-23(29)16-28-20-11-5-6-12-21(20)31-22(24(28)30)14-17-8-3-4-10-19(17)25/h3-6,8,10-12,14,18H,2,7,9,13,15-16H2,1H3,(H,26,29)/b22-14-
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n/an/a 6.19E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434068
PNG
(CHEMBL2381327)
Show SMILES Clc1ccc2-c3sc(cc3CSc2c1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C22H25ClN2OS2/c23-16-4-5-18-19(13-16)27-14-15-12-20(28-21(15)18)22(26)25-10-6-17(7-11-25)24-8-2-1-3-9-24/h4-5,12-13,17H,1-3,6-11,14H2
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n/an/a 6.33E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CXCR7 (unknown origin)

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434051
PNG
(CHEMBL2381219)
Show SMILES CCN1CCCC1CNC(=O)c1ccc(s1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c1-2-22-12-5-7-16(22)14-21-20(24)18-9-10-19(25-18)23-13-11-15-6-3-4-8-17(15)23/h3-4,6,8-11,13,16H,2,5,7,12,14H2,1H3,(H,21,24)
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n/an/a 6.75E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434050
PNG
(CHEMBL2381220)
Show SMILES Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)NCCN1CCCCCC1
Show InChI InChI=1S/C21H25N3O2S/c1-14-6-7-17-15(12-14)19-16(20(25)23-17)13-18(27-19)21(26)22-8-11-24-9-4-2-3-5-10-24/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,26)(H,23,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434049
PNG
(CHEMBL2381324)
Show SMILES CC1CCCCN1CC(O)COc1ccc2c3CCCc3c(=O)oc2c1
Show InChI InChI=1S/C21H27NO4/c1-14-5-2-3-10-22(14)12-15(23)13-25-16-8-9-18-17-6-4-7-19(17)21(24)26-20(18)11-16/h8-9,11,14-15,23H,2-7,10,12-13H2,1H3
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n/an/a 8.02E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434048
PNG
(CHEMBL2381325)
Show SMILES CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN(C)C
Show InChI InChI=1S/C24H34N4O3S/c1-6-30-21-16-20(27-24(32)25-13-8-14-28(4)5)22(31-7-2)15-19(21)26-23(29)18-11-9-17(3)10-12-18/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,29)(H2,25,27,32)
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n/an/a 9.79E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434047
PNG
(CHEMBL1407777)
Show SMILES CCN1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1
Show InChI InChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434046
PNG
(CHEMBL2381326)
Show SMILES O=C(NCCCN(Cc1ccco1)C1CCCC1)c1cc2CSc3ccccc3-c2s1
Show InChI InChI=1S/C25H28N2O2S2/c28-25(23-15-18-17-30-22-11-4-3-10-21(22)24(18)31-23)26-12-6-13-27(19-7-1-2-8-19)16-20-9-5-14-29-20/h3-5,9-11,14-15,19H,1-2,6-8,12-13,16-17H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%