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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 7' AND taxid = 9606   
Target
(Institution)
LigandTarget
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-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380130
PNG
(CHEMBL2013230)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+
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7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380114
PNG
(CHEMBL2013216)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C(/C)c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(21-10-7-6-8-11-21)13-16-29(17-14-23-12-9-15-28(23)2)27(30)22-18-24(31-3)26(33-5)25(19-22)32-4/h6-8,10-11,13,18-19,23H,9,12,14-17H2,1-5H3/b20-13+
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380134
PNG
(CHEMBL2013215)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(16-21-10-7-6-8-11-21)19-29(15-13-23-12-9-14-28(23)2)27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h6-8,10-11,16-18,23H,9,12-15,19H2,1-5H3/b20-16+
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15.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
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19.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380121
PNG
(CHEMBL2013219)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+
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25.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380123
PNG
(CHEMBL2013222)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N2O4/c1-18(13-19-8-9-21(28)16-23(19)29)17-31(12-10-22-7-6-11-30(22)2)27(32)20-14-24(33-3)26(35-5)25(15-20)34-4/h8-9,13-16,22H,6-7,10-12,17H2,1-5H3/b18-13+
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380125
PNG
(CHEMBL2013224)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-22(28)11-9-20)18-30(14-12-23-7-6-13-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h8-11,15-17,23H,6-7,12-14,18H2,1-5H3/b19-15+
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50.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380126
PNG
(CHEMBL2013225)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-7-10-22(27)11-8-20)18-29(15-13-23-6-5-14-28(23)2)26(30)21-9-12-24(31-3)25(17-21)32-4/h7-12,16-17,23H,5-6,13-15,18H2,1-4H3/b19-16+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380136
PNG
(CHEMBL2013226)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1
Show InChI InChI=1S/C27H35FN2O4/c1-19(14-20-8-6-9-22(28)15-20)18-30(13-11-23-10-7-12-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6,8-9,14-17,23H,7,10-13,18H2,1-5H3/b19-14+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380127
PNG
(CHEMBL2013227)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1
Show InChI InChI=1S/C26H33FN2O3/c1-19(15-20-7-5-8-22(27)16-20)18-29(14-12-23-9-6-13-28(23)2)26(30)21-10-11-24(31-3)25(17-21)32-4/h5,7-8,10-11,15-17,23H,6,9,12-14,18H2,1-4H3/b19-15+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380124
PNG
(CHEMBL2013223)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F
Show InChI InChI=1S/C26H32F2N2O3/c1-18(14-19-7-9-21(27)16-23(19)28)17-30(13-11-22-6-5-12-29(22)2)26(31)20-8-10-24(32-3)25(15-20)33-4/h7-10,14-16,22H,5-6,11-13,17H2,1-4H3/b18-14+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380118
PNG
(CHEMBL2013214)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCCCC1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380116
PNG
(CHEMBL2013212)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCOCC1)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380119
PNG
(CHEMBL2013217)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O4/c1-27-15-9-13-22(27)14-17-28(16-8-12-20-10-6-5-7-11-20)26(29)21-18-23(30-2)25(32-4)24(19-21)31-3/h5-8,10-12,18-19,22H,9,13-17H2,1-4H3/b12-8+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380135
PNG
(CHEMBL2013221)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccccc1)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H32N2O3/c1-20(17-21-7-4-3-5-8-21)19-28(14-12-23-9-6-13-27(23)2)26(29)22-10-11-24-25(18-22)31-16-15-30-24/h3-5,7-8,10-11,17-18,23H,6,9,12-16,19H2,1-2H3/b20-17+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380122
PNG
(CHEMBL2013220)
Show SMILES COc1ccc(cc1C)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-20(17-22-9-6-5-7-10-22)19-28(16-14-24-11-8-15-27(24)3)26(29)23-12-13-25(30-4)21(2)18-23/h5-7,9-10,12-13,17-18,24H,8,11,14-16,19H2,1-4H3/b20-17+
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380120
PNG
(CHEMBL2013218)
Show SMILES COc1ccc(C(=O)N(CCC2CCCN2C)C\C(C)=C\c2ccccc2)c(OC)c1
Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-22-11-8-15-27(22)2)26(29)24-13-12-23(30-3)18-25(24)31-4/h5-7,9-10,12-13,17-18,22H,8,11,14-16,19H2,1-4H3/b20-17+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380137
PNG
(CHEMBL2013232)
Show SMILES COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1
Show InChI InChI=1S/C28H37FN2O5/c1-19(14-20-9-10-23(33-3)17-24(20)29)18-31(13-11-22-8-7-12-30(22)2)28(32)21-15-25(34-4)27(36-6)26(16-21)35-5/h9-10,14-17,22H,7-8,11-13,18H2,1-6H3/b19-14+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380132
PNG
(CHEMBL2010828)
Show SMILES COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2ccc(OC)c(OC)c2)c(F)c1
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-23(32-3)17-24(20)28)18-30(14-12-22-7-6-13-29(22)2)27(31)21-9-11-25(33-4)26(16-21)34-5/h8-11,15-17,22H,6-7,12-14,18H2,1-5H3/b19-15+
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380117
PNG
(CHEMBL2013213)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCO)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C23H29NO5/c1-17(13-18-9-6-5-7-10-18)16-24(11-8-12-25)23(26)19-14-20(27-2)22(29-4)21(15-19)28-3/h5-7,9-10,13-15,25H,8,11-12,16H2,1-4H3/b17-13+
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380115
PNG
(CHEMBL2013233)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H30F2N2O3/c1-18(14-19-5-7-21(27)16-23(19)28)17-30(11-9-22-4-3-10-29(22)2)26(31)20-6-8-24-25(15-20)33-13-12-32-24/h5-8,14-16,22H,3-4,9-13,17H2,1-2H3/b18-14+
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380133
PNG
(CHEMBL2013234)
Show SMILES CN1CCCC1CCN(C\C(C)=C\c1ccc(F)cc1F)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H28F2N2O3/c1-17(12-18-5-7-20(26)14-22(18)27)15-29(11-9-21-4-3-10-28(21)2)25(30)19-6-8-23-24(13-19)32-16-31-23/h5-8,12-14,21H,3-4,9-11,15-16H2,1-2H3/b17-12+
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3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380129
PNG
(CHEMBL2013229)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H32F4N2O3/c1-18(12-19-13-21(27(29,30)31)16-22(28)14-19)17-33(11-9-23-6-5-10-32(23)2)26(34)20-7-8-24(35-3)25(15-20)36-4/h7-8,12-16,23H,5-6,9-11,17H2,1-4H3/b18-12+
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5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50380128
PNG
(CHEMBL2013228)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F4N2O4/c1-18(11-19-12-21(28(30,31)32)16-22(29)13-19)17-34(10-8-23-7-6-9-33(23)2)27(35)20-14-24(36-3)26(38-5)25(15-20)37-4/h11-16,23H,6-10,17H2,1-5H3/b18-11+
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5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092206
PNG
(CHEMBL3581276)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O
Show InChI InChI=1/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/s2
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n/an/a 800n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092218
PNG
(CHEMBL3581264)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30+,31-,32-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092260
PNG
(CHEMBL3581286)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O
Show InChI InChI=1/C40H60N12O7/c1-4-22(2)31-36(57)48-28(13-8-18-46-40(43)44)33(54)47-27(12-7-17-45-39(41)42)34(55)49-29(21-24-15-16-25-10-5-6-11-26(25)20-24)38(59)52-19-9-14-30(52)35(56)51-32(23(3)53)37(58)50-31/h5-6,10-11,15-16,20,22-23,27-32,53H,4,7-9,12-14,17-19,21H2,1-3H3,(H,47,54)(H,48,57)(H,49,55)(H,50,58)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t22-,23+,27-,28+,29-,30+,31-,32-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092207
PNG
(CHEMBL3581275)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C1=O
Show InChI InChI=1/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)47-29(9-4-18-45-39(41)42)34(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)49-30(37(50)56)22-24-13-16-28(52)17-14-24/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/s2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092205
PNG
(CHEMBL3581277)
Show SMILES CN1[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C1=O
Show InChI InChI=1/C40H53N11O6/c1-50-33(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-32(51)36(55)49-31(22-24-13-16-28(52)17-14-24)35(54)47-29(9-4-18-45-39(41)42)34(53)48-30(37(50)56)10-5-19-46-40(43)44/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31+,32-,33-/s2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092202
PNG
(CHEMBL3581280)
Show SMILES CN1[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O
Show InChI InChI=1/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/s2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50092211
PNG
(CHEMBL3581271)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32+/s2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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)


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
BDBM50434054
PNG
(CHEMBL2381216)
Show SMILES CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCN(CCO)CC2)cc1
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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)


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
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