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Compile Data Set for Download or QSAR

Found 501 hits Enz. Inhib. hit(s) with all data for entry = 8372   
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))
BDBM243709
PNG
(US9428456, 2.087)
Show SMILES CCC(C)NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H31F3N4O2/c1-3-17(2)29-23(33)19-8-6-13-32(14-12-19)16-18-7-4-9-20(15-18)30-24(34)21-10-5-11-22(31-21)25(26,27)28/h4-5,7,9-11,15,17,19H,3,6,8,12-14,16H2,1-2H3,(H,29,33)(H,30,34)
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n/an/an/an/a 6n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243710
PNG
(US9428456, 2.088)
Show SMILES CCC(C)(C)NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C26H33F3N4O2/c1-4-25(2,3)32-23(34)19-9-7-14-33(15-13-19)17-18-8-5-10-20(16-18)30-24(35)21-11-6-12-22(31-21)26(27,28)29/h5-6,8,10-12,16,19H,4,7,9,13-15,17H2,1-3H3,(H,30,35)(H,32,34)
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n/an/an/an/a 19n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243711
PNG
(US9428456, 2.089)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)Nc1cccc(CN2CCCC(CC2)C(=O)NCC2CC2)c1
Show InChI InChI=1S/C25H29F3N4O2/c26-25(27,28)22-8-2-7-21(31-22)24(34)30-20-6-1-4-18(14-20)16-32-12-3-5-19(11-13-32)23(33)29-15-17-9-10-17/h1-2,4,6-8,14,17,19H,3,5,9-13,15-16H2,(H,29,33)(H,30,34)
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n/an/an/an/a 36n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243712
PNG
(US9428456, 2.091)
Show SMILES CC(C)(CO)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O3/c1-23(2,15-32)30-21(33)17-9-11-31(12-10-17)14-16-5-3-6-18(13-16)28-22(34)19-7-4-8-20(29-19)24(25,26)27/h3-8,13,17,32H,9-12,14-15H2,1-2H3,(H,28,34)(H,30,33)
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n/an/an/an/a 6n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243713
PNG
(US9428456, 2.092)
Show SMILES COCC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O3/c1-16(15-34-2)28-22(32)18-9-11-31(12-10-18)14-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)
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n/an/an/an/a 3n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243714
PNG
(US9428456, 2.093)
Show SMILES COC(C)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O3/c1-16(34-2)14-28-22(32)18-9-11-31(12-10-18)15-17-5-3-6-19(13-17)29-23(33)20-7-4-8-21(30-20)24(25,26)27/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)
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n/an/an/an/a 6n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243716
PNG
(US9428456, 2.095)
Show SMILES CCCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-2-3-12-28-22(32)18-10-13-31(14-11-18)16-17-6-4-7-19(15-17)29-23(33)20-8-5-9-21(30-20)24(25,26)27/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,28,32)(H,29,33)
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n/an/an/an/a 2n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243717
PNG
(US9428456, 3.001)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(CN2CCC(CC2)C(=O)NC2CCCCC2)ccn1
Show InChI InChI=1S/C25H31FN4O2/c26-21-8-6-19(7-9-21)25(32)29-23-16-18(10-13-27-23)17-30-14-11-20(12-15-30)24(31)28-22-4-2-1-3-5-22/h6-10,13,16,20,22H,1-5,11-12,14-15,17H2,(H,28,31)(H,27,29,32)
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n/an/an/an/a 24n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243718
PNG
(US9428456, 3.002)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cc(CN2CCC(CC2)C(=O)NC2CCCCC2)ccn1
Show InChI InChI=1S/C25H31ClN4O2/c26-21-8-6-19(7-9-21)25(32)29-23-16-18(10-13-27-23)17-30-14-11-20(12-15-30)24(31)28-22-4-2-1-3-5-22/h6-10,13,16,20,22H,1-5,11-12,14-15,17H2,(H,28,31)(H,27,29,32)
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n/an/an/an/a 57n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243719
PNG
(US9428456, 3.003)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)n1
Show InChI InChI=1S/C25H31FN4O2/c26-20-11-9-18(10-12-20)25(32)29-23-8-4-7-22(27-23)17-30-15-13-19(14-16-30)24(31)28-21-5-2-1-3-6-21/h4,7-12,19,21H,1-3,5-6,13-17H2,(H,28,31)(H,27,29,32)
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n/an/an/an/a 167n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243720
PNG
(US9428456, 3.004)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cncc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-21-8-6-19(7-9-21)24(31)29-23-14-18(15-27-16-23)17-30-12-10-20(11-13-30)25(32)28-22-4-2-1-3-5-22/h6-9,14-16,20,22H,1-5,10-13,17H2,(H,28,32)(H,29,31)
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n/an/an/an/a 36n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243724
PNG
(US9428456, 1.342)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
Show InChI InChI=1S/C23H36N4O2/c1-23(2,3)25-22(29)19-11-14-27(15-12-19)17-18-8-6-9-20(16-18)24-21(28)10-7-13-26(4)5/h6-10,16,19H,11-15,17H2,1-5H3,(H,24,28)(H,25,29)/b10-7+
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n/an/an/an/a 216n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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)
PDB

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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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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)
PDB

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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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243729
PNG
(US9428456, 1.347)
Show SMILES CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(c[n+]3[O-])C(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H31F3N4O3/c1-4-24(2,3)30-22(33)18-10-12-31(13-11-18)15-17-6-5-7-20(14-17)29-23(34)21-9-8-19(16-32(21)35)25(26,27)28/h5-9,14,16,18H,4,10-13,15H2,1-3H3,(H,29,34)(H,30,33)
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n/an/an/an/a 16n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243730
PNG
(US9428456, 1.348)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(c[n+]3[O-])C(F)(F)F)c2)CC1
Show InChI InChI=1S/C24H29F3N4O3/c1-23(2,3)29-21(32)17-9-11-30(12-10-17)14-16-5-4-6-19(13-16)28-22(33)20-8-7-18(15-31(20)34)24(25,26)27/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,28,33)(H,29,32)
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n/an/an/an/a 8n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243731
PNG
(US9428456, 1.349)
Show SMILES COC(=O)c1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
Show InChI InChI=1S/C25H32N4O4/c1-25(2,3)28-23(31)18-8-10-29(11-9-18)16-17-6-5-7-21(12-17)27-22(30)19-13-20(15-26-14-19)24(32)33-4/h5-7,12-15,18H,8-11,16H2,1-4H3,(H,27,30)(H,28,31)
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n/an/an/an/a 34n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243732
PNG
(US9428456, 1.350)
Show SMILES COC(=O)c1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C27H34N4O4/c1-35-27(34)22-15-21(16-28-17-22)26(33)30-24-9-5-6-19(14-24)18-31-12-10-20(11-13-31)25(32)29-23-7-3-2-4-8-23/h5-6,9,14-17,20,23H,2-4,7-8,10-13,18H2,1H3,(H,29,32)(H,30,33)
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n/an/an/an/a 29n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243733
PNG
(US9428456, 1.351)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H33N3O4S/c1-25(2,3)27-24(30)20-12-14-28(15-13-20)17-18-6-5-7-21(16-18)26-23(29)19-8-10-22(11-9-19)33(4,31)32/h5-11,16,20H,12-15,17H2,1-4H3,(H,26,29)(H,27,30)
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n/an/an/an/a 176n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243734
PNG
(US9428456, 1.065)
Show SMILES Cc1ncccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H34N4O2/c1-19-24(11-6-14-27-19)26(32)29-23-10-5-7-20(17-23)18-30-15-12-21(13-16-30)25(31)28-22-8-3-2-4-9-22/h5-7,10-11,14,17,21-22H,2-4,8-9,12-13,15-16,18H2,1H3,(H,28,31)(H,29,32)
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n/an/an/an/a 59n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243735
PNG
(US9428456, 1.066)
Show SMILES Clc1ncccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-23-22(10-5-13-27-23)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 44n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243736
PNG
(US9428456, 1.067)
Show SMILES Clc1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-23-10-9-20(16-27-23)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 2n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243737
PNG
(US9428456, 1.068)
Show SMILES FC(F)(F)c1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H31F3N4O2/c27-26(28,29)23-10-9-20(16-30-23)25(35)32-22-8-4-5-18(15-22)17-33-13-11-19(12-14-33)24(34)31-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,31,34)(H,32,35)
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n/an/an/an/a 7n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243738
PNG
(US9428456, 1.069)
Show SMILES COc1ncccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H34N4O3/c1-33-26-23(11-6-14-27-26)25(32)29-22-10-5-7-19(17-22)18-30-15-12-20(13-16-30)24(31)28-21-8-3-2-4-9-21/h5-7,10-11,14,17,20-21H,2-4,8-9,12-13,15-16,18H2,1H3,(H,28,31)(H,29,32)
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n/an/an/an/a 10n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243739
PNG
(US9428456, 1.070)
Show SMILES Cc1ccc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c(Cl)n1
Show InChI InChI=1S/C26H33ClN4O2/c1-18-10-11-23(24(27)28-18)26(33)30-22-9-5-6-19(16-22)17-31-14-12-20(13-15-31)25(32)29-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,29,32)(H,30,33)
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n/an/an/an/a 40n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243740
PNG
(US9428456, 1.071)
Show SMILES CCN(CC)c1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C29H41N5O2/c1-3-34(4-2)27-14-13-24(20-30-27)29(36)32-26-12-8-9-22(19-26)21-33-17-15-23(16-18-33)28(35)31-25-10-6-5-7-11-25/h8-9,12-14,19-20,23,25H,3-7,10-11,15-18,21H2,1-2H3,(H,31,35)(H,32,36)
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n/an/an/an/a 182n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243741
PNG
(US9428456, 1.072)
Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C30H42N6O2/c1-34-16-18-36(19-17-34)28-11-10-25(21-31-28)30(38)33-27-9-5-6-23(20-27)22-35-14-12-24(13-15-35)29(37)32-26-7-3-2-4-8-26/h5-6,9-11,20-21,24,26H,2-4,7-8,12-19,22H2,1H3,(H,32,37)(H,33,38)
PDB

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n/an/an/an/a 471n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243742
PNG
(US9428456, 1.073)
Show SMILES O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccnc3N3CCOCC3)c2)CC1
Show InChI InChI=1S/C29H39N5O3/c35-28(31-24-7-2-1-3-8-24)23-11-14-33(15-12-23)21-22-6-4-9-25(20-22)32-29(36)26-10-5-13-30-27(26)34-16-18-37-19-17-34/h4-6,9-10,13,20,23-24H,1-3,7-8,11-12,14-19,21H2,(H,31,35)(H,32,36)
PDB

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n/an/an/an/a 371n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243743
PNG
(US9428456, 1.074)
Show SMILES Clc1cnccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-23-16-27-12-9-22(23)25(32)29-21-8-4-5-18(15-21)17-30-13-10-19(11-14-30)24(31)28-20-6-2-1-3-7-20/h4-5,8-9,12,15-16,19-20H,1-3,6-7,10-11,13-14,17H2,(H,28,31)(H,29,32)
PDB

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n/an/an/an/a 60n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243744
PNG
(US9428456, 1.075)
Show SMILES COc1cc(cc(Cl)n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H33ClN4O3/c1-34-24-16-20(15-23(27)30-24)26(33)29-22-9-5-6-18(14-22)17-31-12-10-19(11-13-31)25(32)28-21-7-3-2-4-8-21/h5-6,9,14-16,19,21H,2-4,7-8,10-13,17H2,1H3,(H,28,32)(H,29,33)
PDB

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n/an/an/an/a 9n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243745
PNG
(US9428456, 1.076)
Show SMILES O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cnc4[nH]ccc4c3)c2)CC1
Show InChI InChI=1S/C27H33N5O2/c33-26(30-23-6-2-1-3-7-23)20-10-13-32(14-11-20)18-19-5-4-8-24(15-19)31-27(34)22-16-21-9-12-28-25(21)29-17-22/h4-5,8-9,12,15-17,20,23H,1-3,6-7,10-11,13-14,18H2,(H,28,29)(H,30,33)(H,31,34)
PDB

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n/an/an/an/a 26n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243746
PNG
(US9428456, 1.077)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H31ClN4O2/c26-20-9-12-27-23(16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-10-19(11-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-9,12,15-16,19,21H,1-3,6-7,10-11,13-14,17H2,(H,28,31)(H,29,32)
PDB

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n/an/an/an/a 3n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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)
PDB

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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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243748
PNG
(US9428456, 1.079)
Show SMILES CC(C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1)c1ccccc1
Show InChI InChI=1S/C26H35N3O2/c1-19(21-10-6-5-7-11-21)24(30)27-23-12-8-9-20(17-23)18-29-15-13-22(14-16-29)25(31)28-26(2,3)4/h5-12,17,19,22H,13-16,18H2,1-4H3,(H,27,30)(H,28,31)
PDB

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n/an/an/an/a 3n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243749
PNG
(US9428456, 1.080)
Show SMILES [O-][n+]1ccccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H32N4O3/c30-24(26-21-8-2-1-3-9-21)20-12-15-28(16-13-20)18-19-7-6-10-22(17-19)27-25(31)23-11-4-5-14-29(23)32/h4-7,10-11,14,17,20-21H,1-3,8-9,12-13,15-16,18H2,(H,26,30)(H,27,31)
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n/an/an/an/a 14n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243751
PNG
(US9428456, 1.082)
Show SMILES Cc1ccnc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C26H34N4O2/c1-19-10-13-27-24(16-19)26(32)29-23-9-5-6-20(17-23)18-30-14-11-21(12-15-30)25(31)28-22-7-3-2-4-8-22/h5-6,9-10,13,16-17,21-22H,2-4,7-8,11-12,14-15,18H2,1H3,(H,28,31)(H,29,32)
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n/an/an/an/a 4n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243752
PNG
(US9428456, 1.083)
Show SMILES Cc1cc(C)nc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C27H36N4O2/c1-19-15-20(2)28-25(16-19)27(33)30-24-10-6-7-21(17-24)18-31-13-11-22(12-14-31)26(32)29-23-8-4-3-5-9-23/h6-7,10,15-17,22-23H,3-5,8-9,11-14,18H2,1-2H3,(H,29,32)(H,30,33)
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n/an/an/an/a 11n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243753
PNG
(US9428456, 1.084)
Show SMILES O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccc(cn3)N3CCCC3)c2)CC1
Show InChI InChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36)
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n/an/an/an/a 39n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243755
PNG
(US9428456, 1.086)
Show SMILES Cc1ncncc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C25H33N5O2/c1-18-23(15-26-17-27-18)25(32)29-22-9-5-6-19(14-22)16-30-12-10-20(11-13-30)24(31)28-21-7-3-2-4-8-21/h5-6,9,14-15,17,20-21H,2-4,7-8,10-13,16H2,1H3,(H,28,31)(H,29,32)
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n/an/an/an/a 527n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243756
PNG
(US9428456, 1.087)
Show SMILES O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ncccn3)c2)CC1
Show InChI InChI=1S/C24H31N5O2/c30-23(27-20-7-2-1-3-8-20)19-10-14-29(15-11-19)17-18-6-4-9-21(16-18)28-24(31)22-25-12-5-13-26-22/h4-6,9,12-13,16,19-20H,1-3,7-8,10-11,14-15,17H2,(H,27,30)(H,28,31)
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n/an/an/an/a 36n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243757
PNG
(US9428456, 1.088)
Show SMILES CN(C)c1nc(C)cc(n1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C27H38N6O2/c1-19-16-24(31-27(28-19)32(2)3)26(35)30-23-11-7-8-20(17-23)18-33-14-12-21(13-15-33)25(34)29-22-9-5-4-6-10-22/h7-8,11,16-17,21-22H,4-6,9-10,12-15,18H2,1-3H3,(H,29,34)(H,30,35)
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n/an/an/an/a 24n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM243758
PNG
(US9428456, 1.089)
Show SMILES Fc1cc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c(Cl)nc1Cl
Show InChI InChI=1S/C25H29Cl2FN4O2/c26-22-20(14-21(28)23(27)31-22)25(34)30-19-8-4-5-16(13-19)15-32-11-9-17(10-12-32)24(33)29-18-6-2-1-3-7-18/h4-5,8,13-14,17-18H,1-3,6-7,9-12,15H2,(H,29,33)(H,30,34)
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n/an/an/an/a 15n/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...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair
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