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Compile Data Set for Download or QSAR

Found 618 hits of ec50 data for polymerid = 10694   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243795
PNG
(US9428456, 1.224)
Show SMILES Fc1ccc(nc1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C24H28ClFN4O2/c25-21-7-6-20(29-24(32)22-8-5-18(26)14-27-22)13-17(21)15-30-11-9-16(10-12-30)23(31)28-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,28,31)(H,29,32)
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n/an/an/an/a 0.400n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243788
PNG
(US9428456, 1.217)
Show SMILES Clc1ccc(NC(=O)c2ccccc2)cc1CN1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C25H30ClN3O2/c26-23-11-10-22(28-24(30)18-6-2-1-3-7-18)16-20(23)17-29-14-12-19(13-15-29)25(31)27-21-8-4-5-9-21/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,27,31)(H,28,30)
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n/an/an/an/a 0.400n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243794
PNG
(US9428456, 1.223)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-24(2,3)27-23(30)19-11-13-28(14-12-19)16-17-5-4-6-21(15-17)26-22(29)18-7-9-20(25)10-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/an/an/a 0.5n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243891
PNG
(US9428456, 1.229)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(cn3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-23(2,3)30-21(32)17-9-11-31(12-10-17)15-16-5-4-6-19(13-16)29-22(33)20-8-7-18(14-28-20)24(25,26)27/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,29,33)(H,30,32)
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n/an/an/an/a 0.5n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243798
PNG
(US9428456, 1.227)
Show SMILES Clc1cncc(c1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C24H28Cl2N4O2/c25-19-11-17(13-27-14-19)24(32)29-21-5-6-22(26)18(12-21)15-30-9-7-16(8-10-30)23(31)28-20-3-1-2-4-20/h5-6,11-14,16,20H,1-4,7-10,15H2,(H,28,31)(H,29,32)
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n/an/an/an/a 0.600n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243974
PNG
(US9428456, 4.020)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(F)cn3)c2)CC1
Show InChI InChI=1S/C23H29FN4O2/c1-23(2,3)27-21(29)17-9-11-28(12-10-17)15-16-5-4-6-19(13-16)26-22(30)20-8-7-18(24)14-25-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,26,30)(H,27,29)
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n/an/an/an/a 0.600n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243721
PNG
(US9428456, 1.339)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC1
Show InChI InChI=1S/C23H29ClN4O2/c1-23(2,3)27-21(29)17-9-11-28(12-10-17)15-16-5-4-6-19(13-16)26-22(30)20-8-7-18(24)14-25-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,26,30)(H,27,29)
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n/an/an/an/a 0.600n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243781
PNG
(US9428456, 1.210)
Show SMILES FC(F)(F)c1ccc(nc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H29F3N4O2/c26-25(27,28)19-8-9-22(29-15-19)24(34)31-21-7-3-4-17(14-21)16-32-12-10-18(11-13-32)23(33)30-20-5-1-2-6-20/h3-4,7-9,14-15,18,20H,1-2,5-6,10-13,16H2,(H,30,33)(H,31,34)
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n/an/an/an/a 0.600n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243779
PNG
(US9428456, 1.208)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H29F3N4O2/c26-25(27,28)22-10-4-9-21(31-22)24(34)30-20-8-3-5-17(15-20)16-32-13-11-18(12-14-32)23(33)29-19-6-1-2-7-19/h3-5,8-10,15,18-19H,1-2,6-7,11-14,16H2,(H,29,33)(H,30,34)
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n/an/an/an/a 0.600n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243722
PNG
(US9428456, 1.340)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ncc(Cl)cc3F)c2)CC1
Show InChI InChI=1S/C23H28ClFN4O2/c1-23(2,3)28-21(30)16-7-9-29(10-8-16)14-15-5-4-6-18(11-15)27-22(31)20-19(25)12-17(24)13-26-20/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,27,31)(H,28,30)
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n/an/an/an/a 0.700n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243778
PNG
(US9428456, 1.207)
Show SMILES Fc1ccc(nc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C24H29FN4O2/c25-19-8-9-22(26-15-19)24(31)28-21-7-3-4-17(14-21)16-29-12-10-18(11-13-29)23(30)27-20-5-1-2-6-20/h3-4,7-9,14-15,18,20H,1-2,5-6,10-13,16H2,(H,27,30)(H,28,31)
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n/an/an/an/a 0.800n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243607
PNG
(US9428456, 1.338)
Show SMILES CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC1
Show InChI InChI=1S/C24H31ClN4O2/c1-4-24(2,3)28-22(30)18-10-12-29(13-11-18)16-17-6-5-7-20(14-17)27-23(31)21-9-8-19(25)15-26-21/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30)
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n/an/an/an/a 0.800n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243632
PNG
(US9428456, 1.057)
Show SMILES Fc1ccc(nc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31FN4O2/c26-20-9-10-23(27-16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-11-19(12-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,28,31)(H,29,32)
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n/an/an/an/a 0.800n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243800
PNG
(US9428456, 2.003)
Show SMILES CC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-16(2)25-22(28)19-10-12-27(13-11-19)15-17-4-3-5-21(14-17)26-23(29)18-6-8-20(24)9-7-18/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,28)(H,26,29)
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n/an/an/an/a 0.800n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243796
PNG
(US9428456, 1.225)
Show SMILES FC(F)(F)c1cncc(c1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H28ClF3N4O2/c26-22-6-5-21(32-24(35)17-11-19(14-30-13-17)25(27,28)29)12-18(22)15-33-9-7-16(8-10-33)23(34)31-20-3-1-2-4-20/h5-6,11-14,16,20H,1-4,7-10,15H2,(H,31,34)(H,32,35)
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n/an/an/an/a 0.800n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243897
PNG
(US9428456, 1.235)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4n3)c2)CC1
Show InChI InChI=1S/C27H32N4O2/c1-27(2,3)30-25(32)21-13-15-31(16-14-21)18-19-7-6-9-22(17-19)28-26(33)24-12-11-20-8-4-5-10-23(20)29-24/h4-12,17,21H,13-16,18H2,1-3H3,(H,28,33)(H,30,32)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243726
PNG
(US9428456, 1.344)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(Br)n3)c2)CC1
Show InChI InChI=1S/C23H29BrN4O2/c1-23(2,3)27-21(29)17-10-12-28(13-11-17)15-16-6-4-7-18(14-16)25-22(30)19-8-5-9-20(24)26-19/h4-9,14,17H,10-13,15H2,1-3H3,(H,25,30)(H,27,29)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243921
PNG
(US9428456, 1.260)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3C(C)(C)C3(C)C)c2)CC1
Show InChI InChI=1S/C25H39N3O2/c1-23(2,3)27-21(29)18-11-13-28(14-12-18)16-17-9-8-10-19(15-17)26-22(30)20-24(4,5)25(20,6)7/h8-10,15,18,20H,11-14,16H2,1-7H3,(H,26,30)(H,27,29)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243705
PNG
(US9428456, 2.001)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H30ClN3O2/c26-21-10-8-19(9-11-21)24(30)28-23-7-3-4-18(16-23)17-29-14-12-20(13-15-29)25(31)27-22-5-1-2-6-22/h3-4,7-11,16,20,22H,1-2,5-6,12-15,17H2,(H,27,31)(H,28,30)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243750
PNG
(US9428456, 1.081)
Show SMILES Cc1cccc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H34N4O2/c1-19-7-5-12-24(27-19)26(32)29-23-11-6-8-20(17-23)18-30-15-13-21(14-16-30)25(31)28-22-9-3-2-4-10-22/h5-8,11-12,17,21-22H,2-4,9-10,13-16,18H2,1H3,(H,28,31)(H,29,32)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243777
PNG
(US9428456, 1.206)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H30FN3O2/c26-21-10-8-19(9-11-21)24(30)28-23-7-3-4-18(16-23)17-29-14-12-20(13-15-29)25(31)27-22-5-1-2-6-22/h3-4,7-11,16,20,22H,1-2,5-6,12-15,17H2,(H,27,31)(H,28,30)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243790
PNG
(US9428456, 1.219)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H29ClFN3O2/c26-23-10-9-22(29-24(31)17-5-7-20(27)8-6-17)15-19(23)16-30-13-11-18(12-14-30)25(32)28-21-3-1-2-4-21/h5-10,15,18,21H,1-4,11-14,16H2,(H,28,32)(H,29,31)
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n/an/an/an/a 0.900n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM345976
PNG
(2-(4-Cyclopropylmethyl-1-methyl-2,3,4,5-tetrahydro...)
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n/an/an/an/a 1n/an/an/an/a



Plexxikon





Structure 12: 2233-47 (2004)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243679
PNG
(US9428456, 1.300)
Show SMILES Cc1ccc(NC(=O)c2ccc(F)cc2)cc1CN1CCC(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H32FN3O2/c1-17-5-10-22(27-23(30)18-6-8-21(26)9-7-18)15-20(17)16-29-13-11-19(12-14-29)24(31)28-25(2,3)4/h5-10,15,19H,11-14,16H2,1-4H3,(H,27,30)(H,28,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243890
PNG
(US9428456, 1.228)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-23(2,3)30-21(32)17-10-12-31(13-11-17)15-16-6-4-7-18(14-16)28-22(33)19-8-5-9-20(29-19)24(25,26)27/h4-9,14,17H,10-13,15H2,1-3H3,(H,28,33)(H,30,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243892
PNG
(US9428456, 1.230)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(c3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-23(2,3)30-22(33)17-7-9-31(10-8-17)15-16-5-4-6-20(11-16)29-21(32)18-12-19(14-28-13-18)24(25,26)27/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,29,32)(H,30,33)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243906
PNG
(US9428456, 1.245)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)CC1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-25(2,3)29-24(32)18-10-12-30(13-11-18)16-17-6-4-7-19(14-17)28-23(31)15-20-21(26)8-5-9-22(20)27/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,28,31)(H,29,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243919
PNG
(US9428456, 1.258)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3Cl)c2)CC1
Show InChI InChI=1S/C25H32ClN3O2/c1-25(2,3)28-24(31)19-11-13-29(14-12-19)17-18-7-6-9-21(15-18)27-23(30)16-20-8-4-5-10-22(20)26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,27,30)(H,28,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM345977
PNG
(2-(4-Cyclopropylmethyl-1-methyl-2,3,4,5-tetrahydro...)
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n/an/an/an/a 1n/an/an/an/a



Plexxikon





Structure 12: 2233-47 (2004)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
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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n/an/an/an/a 1n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human CXCR7 expressed in HEK293T cells co-expressing beta-arrestin2-YFP assessed as beta-arrestin2 recruitment after 1 hr by BRET...


Eur J Med Chem 51: 184-92 (2012)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM345948
PNG
(2-(3-Cyclopropylmethyl-2,3,4,5-tetrahydro-1H-benzo...)
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n/an/an/an/a 1n/an/an/an/a



Plexxikon





Structure 12: 2233-47 (2004)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243688
PNG
(US9428456, 1.309)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3(CC3)c3ccccc3)c2)CC1
Show InChI InChI=1S/C27H35N3O2/c1-26(2,3)29-24(31)21-12-16-30(17-13-21)19-20-8-7-11-23(18-20)28-25(32)27(14-15-27)22-9-5-4-6-10-22/h4-11,18,21H,12-17,19H2,1-3H3,(H,28,32)(H,29,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243690
PNG
(US9428456, 1.311)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C(C)(C)c3ccccc3)c2)CC1
Show InChI InChI=1S/C27H37N3O2/c1-26(2,3)29-24(31)21-14-16-30(17-15-21)19-20-10-9-13-23(18-20)28-25(32)27(4,5)22-11-7-6-8-12-22/h6-13,18,21H,14-17,19H2,1-5H3,(H,28,32)(H,29,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243715
PNG
(US9428456, 2.094)
Show SMILES CCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C23H27F3N4O2/c1-2-11-27-21(31)17-9-12-30(13-10-17)15-16-5-3-6-18(14-16)28-22(32)19-7-4-8-20(29-19)23(24,25)26/h3-8,14,17H,2,9-13,15H2,1H3,(H,27,31)(H,28,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243723
PNG
(US9428456, 1.341)
Show SMILES CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(cn3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H31F3N4O2/c1-4-24(2,3)31-22(33)18-10-12-32(13-11-18)16-17-6-5-7-20(14-17)30-23(34)21-9-8-19(15-29-21)25(26,27)28/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,30,34)(H,31,33)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243725
PNG
(US9428456, 1.343)
Show SMILES CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ncc(Cl)cc3F)c2)CC1
Show InChI InChI=1S/C24H30ClFN4O2/c1-4-24(2,3)29-22(31)17-8-10-30(11-9-17)15-16-6-5-7-19(12-16)28-23(32)21-20(26)13-18(25)14-27-21/h5-7,12-14,17H,4,8-11,15H2,1-3H3,(H,28,32)(H,29,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243727
PNG
(US9428456, 1.345)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc([n+]3[O-])C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O3/c1-23(2,3)29-21(32)17-10-12-30(13-11-17)15-16-6-4-7-18(14-16)28-22(33)19-8-5-9-20(31(19)34)24(25,26)27/h4-9,14,17H,10-13,15H2,1-3H3,(H,28,33)(H,29,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243728
PNG
(US9428456, 1.346)
Show SMILES CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc([n+]3[O-])C(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H31F3N4O3/c1-4-24(2,3)30-22(33)18-11-13-31(14-12-18)16-17-7-5-8-19(15-17)29-23(34)20-9-6-10-21(32(20)35)25(26,27)28/h5-10,15,18H,4,11-14,16H2,1-3H3,(H,29,34)(H,30,33)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243747
PNG
(US9428456, 1.078)
Show SMILES Clc1cccc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-23-11-5-10-22(29-23)25(32)28-21-9-4-6-18(16-21)17-30-14-12-19(13-15-30)24(31)27-20-7-2-1-3-8-20/h4-6,9-11,16,19-20H,1-3,7-8,12-15,17H2,(H,27,31)(H,28,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243754
PNG
(US9428456, 1.085)
Show SMILES Brc1cccnc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31BrN4O2/c26-22-10-5-13-27-23(22)25(32)29-21-9-4-6-18(16-21)17-30-14-11-19(12-15-30)24(31)28-20-7-2-1-3-8-20/h4-6,9-10,13,16,19-20H,1-3,7-8,11-12,14-15,17H2,(H,28,31)(H,29,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243763
PNG
(US9428456, 1.094)
Show SMILES Clc1ccc(nc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-20-9-10-23(27-16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-11-19(12-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,28,31)(H,29,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243780
PNG
(US9428456, 1.209)
Show SMILES Clc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C24H29ClN4O2/c25-20-13-19(14-26-15-20)24(31)28-22-7-3-4-17(12-22)16-29-10-8-18(9-11-29)23(30)27-21-5-1-2-6-21/h3-4,7,12-15,18,21H,1-2,5-6,8-11,16H2,(H,27,30)(H,28,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243791
PNG
(US9428456, 1.220)
Show SMILES FC(F)(F)c1ccc(nc1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C25H28ClF3N4O2/c26-21-7-6-20(32-24(35)22-8-5-18(14-30-22)25(27,28)29)13-17(21)15-33-11-9-16(10-12-33)23(34)31-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,31,34)(H,32,35)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243792
PNG
(US9428456, 1.221)
Show SMILES Clc1ccc(NC(=O)c2ccc3ncccc3c2)cc1CN1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C28H31ClN4O2/c29-25-9-8-24(32-28(35)21-7-10-26-20(16-21)4-3-13-30-26)17-22(25)18-33-14-11-19(12-15-33)27(34)31-23-5-1-2-6-23/h3-4,7-10,13,16-17,19,23H,1-2,5-6,11-12,14-15,18H2,(H,31,34)(H,32,35)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243801
PNG
(US9428456, 2.004)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-24(2,3)27-23(30)19-11-13-28(14-12-19)16-17-5-4-6-21(15-17)26-22(29)18-7-9-20(25)10-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243806
PNG
(US9428456, 2.009)
Show SMILES CCN(CC)C(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-3-28(4-2)24(30)20-12-14-27(15-13-20)17-18-6-5-7-22(16-18)26-23(29)19-8-10-21(25)11-9-19/h5-11,16,20H,3-4,12-15,17H2,1-2H3,(H,26,29)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243846
PNG
(US9428456, 4.006)
Show SMILES [O-][n+]1cc(F)ccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show InChI InChI=1S/C24H29FN4O3/c25-19-8-9-22(29(32)16-19)24(31)27-21-7-3-4-17(14-21)15-28-12-10-18(11-13-28)23(30)26-20-5-1-2-6-20/h3-4,7-9,14,16,18,20H,1-2,5-6,10-13,15H2,(H,26,30)(H,27,31)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243804
PNG
(US9428456, 2.007)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCC2)c1
Show InChI InChI=1S/C24H28ClN3O2/c25-20-9-7-18(8-10-20)23(29)27-22-6-1-3-17(15-22)16-28-13-11-19(12-14-28)24(30)26-21-4-2-5-21/h1,3,6-10,15,19,21H,2,4-5,11-14,16H2,(H,26,30)(H,27,29)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243483
PNG
(US9428456, 1.002)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H31F3N4O2/c27-26(28,29)23-11-5-10-22(32-23)25(35)31-21-9-4-6-18(16-21)17-33-14-12-19(13-15-33)24(34)30-20-7-2-1-3-8-20/h4-6,9-11,16,19-20H,1-3,7-8,12-15,17H2,(H,30,34)(H,31,35)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243555
PNG
(US9428456, 1.269)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C27H36ClN3O2/c1-26(2,3)30-24(32)20-13-15-31(16-14-20)18-19-7-6-8-23(17-19)29-25(33)27(4,5)21-9-11-22(28)12-10-21/h6-12,17,20H,13-16,18H2,1-5H3,(H,29,33)(H,30,32)
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n/an/an/an/a 1n/an/an/a37



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


Citation and Details
More data for this
Ligand-Target Pair
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