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USPatent US8846656

Compile data set for download or QSAR
Found 146 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134505
PNG
(US8846656, 21-D)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C32H42N4O/c1-20(2)25-12-11-21(3)29(18-25)35-15-14-28-27(19-35)32(36-16-13-26(37-7)17-24(36)6)34-31(33-28)30-22(4)9-8-10-23(30)5/h8-12,18,20,24,26H,13-17,19H2,1-7H3/t24-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134531
PNG
(US8846656, 23-I)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H40N8O/c1-18-7-10-23-28(19(2)34-35-23)27(18)29-32-22-11-13-38(26-15-24(20-8-9-20)36-37(26)5)16-21(22)30(33-29)39-14-12-25(40-6)31(3,4)17-39/h7,10,15,20,25H,8-9,11-14,16-17H2,1-6H3,(H,34,35)/t25-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134520
PNG
(US8846656, 21-AI)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C34H44N6O/c1-20(2)24-11-9-21(3)28(17-24)39-15-13-26-25(18-39)33(40-16-14-29(41-8)34(6,7)19-40)36-32(35-26)30-22(4)10-12-27-31(30)23(5)37-38-27/h9-12,17,20,29H,13-16,18-19H2,1-8H3,(H,37,38)/t29-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134518
PNG
(US8846656, 21-AG)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(Cl)ccc1C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H35ClN6O/c1-17-6-8-21(31)15-26(17)36-12-11-24-23(16-36)30(37-13-10-22(38-5)14-19(37)3)33-29(32-24)27-18(2)7-9-25-28(27)20(4)34-35-25/h6-9,15,19,22H,10-14,16H2,1-5H3,(H,34,35)/t19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134523
PNG
(US8846656, 21-AL)
Show SMILES CCO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C34H44N6O/c1-8-41-26-13-16-40(23(6)17-26)34-27-19-39(30-18-25(20(2)3)11-9-21(30)4)15-14-28(27)35-33(36-34)31-22(5)10-12-29-32(31)24(7)37-38-29/h9-12,18,20,23,26H,8,13-17,19H2,1-7H3,(H,37,38)/t23-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134586
PNG
(US8846656, 65-A)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC(C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39N7/c1-18(2)22-10-8-19(3)27(14-22)37-13-12-25-24(17-37)31(38-15-23(16-38)36(6)7)33-30(32-25)28-20(4)9-11-26-29(28)21(5)34-35-26/h8-11,14,18,23H,12-13,15-17H2,1-7H3,(H,34,35)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134596
PNG
(US8846656, 69-L)
Show SMILES Cc1n[nH]c2ccc(C)c(-c3nc4CCN(Cc4c(n3)N3CC[C@@H]4OC[C@]4(C)C3)c3c(Cl)c(nn3C)C3CC3)c12
Show InChI InChI=1S/C30H35ClN8O/c1-16-5-8-21-24(17(2)34-35-21)23(16)27-32-20-9-11-38(29-25(31)26(18-6-7-18)36-37(29)4)13-19(20)28(33-27)39-12-10-22-30(3,14-39)15-40-22/h5,8,18,22H,6-7,9-15H2,1-4H3,(H,34,35)/t22-,30-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134574
PNG
(US8846656, 55-I)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H35ClF2N8O/c1-15-7-8-19-22(16(2)35-36-19)21(15)26-33-18-9-11-39(28-23(30)24(25(31)32)37-38(28)5)13-17(18)27(34-26)40-12-10-20(41-6)29(3,4)14-40/h7-8,20,25H,9-14H2,1-6H3,(H,35,36)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134582
PNG
(US8846656, 56-F)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H35F3N8O/c1-15-7-8-19-22(16(2)35-36-19)21(15)26-33-18-9-11-39(28-23(30)24(25(31)32)37-38(28)5)13-17(18)27(34-26)40-12-10-20(41-6)29(3,4)14-40/h7-8,20,25H,9-14H2,1-6H3,(H,35,36)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134512
PNG
(US8846656, 21-R)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C34H42N6O2/c1-20-7-9-24(34(5)18-42-19-34)16-29(20)39-13-12-27-26(17-39)33(40-14-11-25(41-6)15-22(40)3)36-32(35-27)30-21(2)8-10-28-31(30)23(4)37-38-28/h7-10,16,22,25H,11-15,17-19H2,1-6H3,(H,37,38)/t22-,25-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134530
PNG
(US8846656, 23-H)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H38N8O/c1-17-6-9-24-28(19(3)33-34-24)27(17)29-31-23-11-12-37(26-15-25(20-7-8-20)35-36(26)4)16-22(23)30(32-29)38-13-10-21(39-5)14-18(38)2/h6,9,15,18,20-21H,7-8,10-14,16H2,1-5H3,(H,33,34)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134569
PNG
(US8846656, 52-C)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N7O/c1-20(2)24-10-9-21(3)29(15-24)39-12-11-27-26(18-39)33(40-14-13-38(17-23(40)5)19-30(34)41)37-32(36-27)25-7-6-8-28-31(25)22(4)16-35-28/h6-10,15-16,20,23,35H,11-14,17-19H2,1-5H3,(H2,34,41)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134577
PNG
(US8846656, 55-M)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H37ClN8O/c1-16-6-9-23-25(18(3)34-35-23)24(16)28-32-22-11-12-38(30-26(31)27(19-7-8-19)36-37(30)4)15-21(22)29(33-28)39-13-10-20(40-5)14-17(39)2/h6,9,17,19-20H,7-8,10-15H2,1-5H3,(H,34,35)/t17-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134589
PNG
(US8846656, 65-I)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H36N6/c1-17(2)22-9-7-18(3)26(15-22)35-13-12-24-23(16-35)30(36-14-11-20(36)5)32-29(31-24)27-19(4)8-10-25-28(27)21(6)33-34-25/h7-10,15,17,20H,11-14,16H2,1-6H3,(H,33,34)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134519
PNG
(US8846656, 21-AH)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H35F3N6O/c1-17-6-8-21(31(32,33)34)15-26(17)39-12-11-24-23(16-39)30(40-13-10-22(41-5)14-19(40)3)36-29(35-24)27-18(2)7-9-25-28(27)20(4)37-38-25/h6-9,15,19,22H,10-14,16H2,1-5H3,(H,37,38)/t19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134580
PNG
(US8846656, 56-C)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39FN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134511
PNG
(US8846656, 21-Q)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)29(17-24)38-14-13-27-26(18-38)33(39-15-12-25(40-7)16-22(39)5)35-32(34-27)30-21(4)9-11-28-31(30)23(6)36-37-28/h8-11,17,19,22,25H,12-16,18H2,1-7H3,(H,36,37)/t22-,25-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134524
PNG
(US8846656, 21-AM)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCCC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H40N6/c1-19(2)24-12-10-20(3)28(17-24)37-16-14-26-25(18-37)32(38-15-8-7-9-22(38)5)34-31(33-26)29-21(4)11-13-27-30(29)23(6)35-36-27/h10-13,17,19,22H,7-9,14-16,18H2,1-6H3,(H,35,36)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134500
PNG
(US8846656, 19-AF)
Show SMILES CO[C@@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)28(16-24)38-14-12-26-25(18-38)33(39-15-13-29(40-7)22(5)17-39)35-32(34-26)30-21(4)9-11-27-31(30)23(6)36-37-27/h8-11,16,19,22,29H,12-15,17-18H2,1-7H3,(H,36,37)/t22-,29-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134498
PNG
(US8846656, 19-AD)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C33H44N4O/c1-21(2)25-13-12-22(3)28(18-25)36-16-14-27-26(19-36)32(37-17-15-29(38-8)33(6,7)20-37)35-31(34-27)30-23(4)10-9-11-24(30)5/h9-13,18,21,29H,14-17,19-20H2,1-8H3/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134579
PNG
(US8846656, 56-B)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H37FN8O/c1-16-5-10-24-26(17(2)35-36-24)25(16)29-33-23-11-12-39(31-27(32)28(18-6-7-18)37-38(31)3)15-22(23)30(34-29)40-19-8-9-20(40)14-21(13-19)41-4/h5,10,18-21H,6-9,11-15H2,1-4H3,(H,35,36)/t19-,20+,21+
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134571
PNG
(US8846656, 54-B)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H39ClN8O/c1-16(2)27-26(31)30(37(6)36-27)38-12-11-22-21(15-38)29(39-13-10-20(40-7)14-18(39)4)33-28(32-22)24-17(3)8-9-23-25(24)19(5)34-35-23/h8-9,16,18,20H,10-15H2,1-7H3,(H,34,35)/t18-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134529
PNG
(US8846656, 23-G)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C30H40N8O/c1-17(2)25-15-26(36(6)35-25)37-12-11-23-22(16-37)30(38-13-10-21(39-7)14-19(38)4)32-29(31-23)27-18(3)8-9-24-28(27)20(5)33-34-24/h8-9,15,17,19,21H,10-14,16H2,1-7H3,(H,33,34)/t19-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134502
PNG
(US8846656, 19-AI)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C34H44N6O/c1-20(2)24-11-9-21(3)28(17-24)39-15-13-26-25(18-39)33(40-16-14-29(41-8)34(6,7)19-40)36-32(35-26)30-22(4)10-12-27-31(30)23(5)37-38-27/h9-12,17,20,29H,13-16,18-19H2,1-8H3,(H,37,38)/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134507
PNG
(US8846656, 21-K)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)cccc1C
Show InChI InChI=1S/C33H42N4O2/c1-21-10-11-25(33(5)19-39-20-33)17-29(21)36-14-13-28-27(18-36)32(37-15-12-26(38-6)16-24(37)4)35-31(34-28)30-22(2)8-7-9-23(30)3/h7-11,17,24,26H,12-16,18-20H2,1-6H3/t24-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134587
PNG
(US8846656, 65-B)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC[C@H](C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H41N7/c1-19(2)23-10-8-20(3)28(16-23)38-15-13-26-25(18-38)32(39-14-12-24(17-39)37(6)7)34-31(33-26)29-21(4)9-11-27-30(29)22(5)35-36-27/h8-11,16,19,24H,12-15,17-18H2,1-7H3,(H,35,36)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134572
PNG
(US8846656, 55-G)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39ClN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134591
PNG
(US8846656, 68-B)
Show SMILES CCOC1CN(C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H33ClN8O/c1-5-38-18-12-37(13-18)27-19-14-36(28-24(29)25(17-7-8-17)34-35(28)4)11-10-20(19)30-26(31-27)22-15(2)6-9-21-23(22)16(3)32-33-21/h6,9,17-18H,5,7-8,10-14H2,1-4H3,(H,32,33)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134590
PNG
(US8846656, 65-K)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCOC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H38N6O/c1-18(2)23-9-7-19(3)27(15-23)36-12-11-25-24(16-36)31(37-13-14-38-17-21(37)5)33-30(32-25)28-20(4)8-10-26-29(28)22(6)34-35-26/h7-10,15,18,21H,11-14,16-17H2,1-6H3,(H,34,35)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134601
PNG
(US8846656, 71-B)
Show SMILES CCn1nc(C2CC2)c(F)c1N1CCc2nc(nc(N3CC[C@@H](OC)C(C)(C)C3)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H41FN8O/c1-7-41-31(27(33)28(38-41)20-9-10-20)39-14-12-22-21(16-39)30(40-15-13-24(42-6)32(4,5)17-40)35-29(34-22)25-18(2)8-11-23-26(25)19(3)36-37-23/h8,11,20,24H,7,9-10,12-17H2,1-6H3,(H,36,37)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134525
PNG
(US8846656, 22-C)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(cnc2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C32H37F3N6O/c1-18(2)21-7-6-19(3)27(15-21)40-12-10-26-24(17-40)31(41-13-9-22(42-5)14-20(41)4)39-30(38-26)28-23-8-11-36-29(23)37-16-25(28)32(33,34)35/h6-8,11,15-16,18,20,22H,9-10,12-14,17H2,1-5H3,(H,36,37)/t20-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134479
PNG
(US8846656, 17-AM)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H43N5O/c1-21(2)24-12-11-22(3)29(17-24)38-15-13-27-26(19-38)33(39-16-14-30(40-7)34(5,6)20-39)37-32(36-27)25-9-8-10-28-31(25)23(4)18-35-28/h8-12,17-18,21,30,35H,13-16,19-20H2,1-7H3/t30-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134581
PNG
(US8846656, 56-E)
Show SMILES CCO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H41FN8O/c1-7-42-24-13-15-41(17-32(24,4)5)30-21-16-40(31-27(33)28(20-9-10-20)38-39(31)6)14-12-22(21)34-29(35-30)25-18(2)8-11-23-26(25)19(3)36-37-23/h8,11,20,24H,7,9-10,12-17H2,1-6H3,(H,36,37)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134551
PNG
(US8846656, 32-B)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(Cl)c12
Show InChI InChI=1S/C33H41ClN6O/c1-19(2)22-10-8-20(3)26(16-22)39-14-12-24-23(17-39)32(40-15-13-27(41-7)33(5,6)18-40)36-31(35-24)28-21(4)9-11-25-29(28)30(34)38-37-25/h8-11,16,19,27H,12-15,17-18H2,1-7H3,(H,37,38)/t27-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134509
PNG
(US8846656, 21-N)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(OC)ccc1C)-c1c(C)cccc1C
Show InChI InChI=1S/C30H38N4O2/c1-19-10-11-23(35-5)17-27(19)33-14-13-26-25(18-33)30(34-15-12-24(36-6)16-22(34)4)32-29(31-26)28-20(2)8-7-9-21(28)3/h7-11,17,22,24H,12-16,18H2,1-6H3/t22-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134546
PNG
(US8846656, 29)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN([C@H](C)C3)S(C)(=O)=O)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C32H40N6O2S/c1-20(2)24-11-10-21(3)29(16-24)36-13-12-27-26(19-36)32(37-14-15-38(23(5)18-37)41(6,39)40)35-31(34-27)25-8-7-9-28-30(25)22(4)17-33-28/h7-11,16-17,20,23,33H,12-15,18-19H2,1-6H3/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134562
PNG
(US8846656, 41-G)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(ccc2[nH]ncc12)C(C)C
Show InChI InChI=1S/C29H34N4/c1-17(2)21-8-7-19(5)28(14-21)33-12-11-25-24(16-33)20(6)13-27(31-25)29-22(18(3)4)9-10-26-23(29)15-30-32-26/h7-10,13-15,17-18H,11-12,16H2,1-6H3,(H,30,32)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134576
PNG
(US8846656, 55-L)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39ClN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134544
PNG
(US8846656, 28-B)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3C[C@H](C)N(CC(N)=O)C[C@H]3C)c2C1)-c1c(C)cccc1C
Show InChI InChI=1S/C33H44N6O/c1-20(2)26-12-11-21(3)29(15-26)37-14-13-28-27(18-37)33(36-32(35-28)31-22(4)9-8-10-23(31)5)39-17-24(6)38(16-25(39)7)19-30(34)40/h8-12,15,20,24-25H,13-14,16-19H2,1-7H3,(H2,34,40)/t24-,25+/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134470
PNG
(US8846656, 17-G)
Show SMILES COc1nc(Cl)nc2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C15H16ClN3O/c1-20-14-12-10-19(9-11-5-3-2-4-6-11)8-7-13(12)17-15(16)18-14/h2-6H,7-10H2,1H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134497
PNG
(US8846656, 19-AC)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(ccc2[nH]ncc12)C(C)C
Show InChI InChI=1S/C36H46N6O2/c1-22(2)25-10-11-29-26(17-37-40-29)32(25)33-38-28-12-14-41(30-16-24(9-8-23(30)3)36(6)20-44-21-36)18-27(28)34(39-33)42-15-13-31(43-7)35(4,5)19-42/h8-11,16-17,22,31H,12-15,18-21H2,1-7H3,(H,37,40)/t31-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134499
PNG
(US8846656, 19-AE)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(OC)ccc1C)-c1c(ccc2[nH]ncc12)C(C)C
Show InChI InChI=1S/C33H42N6O2/c1-20(2)23-10-11-27-24(17-34-37-27)30(23)31-35-26-12-14-38(28-16-22(40-6)9-8-21(28)3)18-25(26)32(36-31)39-15-13-29(41-7)33(4,5)19-39/h8-11,16-17,20,29H,12-15,18-19H2,1-7H3,(H,34,37)/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134517
PNG
(US8846656, 21-AF)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1ccc(F)c2[nH]cc(C)c12
Show InChI InChI=1S/C34H42FN5O/c1-20(2)23-9-8-21(3)28(16-23)39-14-12-27-25(18-39)33(40-15-13-29(41-7)34(5,6)19-40)38-32(37-27)24-10-11-26(35)31-30(24)22(4)17-36-31/h8-11,16-17,20,29,36H,12-15,18-19H2,1-7H3/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134515
PNG
(US8846656, 21-AB)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)cccc1C
Show InChI InChI=1S/C31H37F3N4O/c1-19-10-11-22(31(32,33)34)16-25(19)37-14-12-24-23(17-37)29(38-15-13-26(39-6)30(4,5)18-38)36-28(35-24)27-20(2)8-7-9-21(27)3/h7-11,16,26H,12-15,17-18H2,1-6H3/t26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134545
PNG
(US8846656, 28-D)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3C[C@H](C)N(CC(N)=O)C[C@H]3C)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H43N7O/c1-20(2)25-11-10-21(3)30(14-25)39-13-12-28-27(18-39)34(41-17-23(5)40(16-24(41)6)19-31(35)42)38-33(37-28)26-8-7-9-29-32(26)22(4)15-36-29/h7-11,14-15,20,23-24,36H,12-13,16-19H2,1-6H3,(H2,35,42)/t23-,24+/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134594
PNG
(US8846656, 69-I)
Show SMILES CO[C@@H]1CN([C@H]1C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H33ClN8O/c1-14-6-9-20-23(15(2)32-33-20)22(14)26-30-19-10-11-36(28-24(29)25(17-7-8-17)34-35(28)4)12-18(19)27(31-26)37-13-21(38-5)16(37)3/h6,9,16-17,21H,7-8,10-13H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134572
PNG
(US8846656, 55-G)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39ClN8O/c1-17-7-10-22-25(18(2)35-36-22)24(17)28-33-21-11-13-39(30-26(32)27(19-8-9-19)37-38(30)5)15-20(21)29(34-28)40-14-12-23(41-6)31(3,4)16-40/h7,10,19,23H,8-9,11-16H2,1-6H3,(H,35,36)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134573
PNG
(US8846656, 55-H)
Show SMILES CCO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H41ClN8O/c1-7-42-24-13-15-41(17-32(24,4)5)30-21-16-40(31-27(33)28(20-9-10-20)38-39(31)6)14-12-22(21)34-29(35-30)25-18(2)8-11-23-26(25)19(3)36-37-23/h8,11,20,24H,7,9-10,12-17H2,1-6H3,(H,36,37)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134593
PNG
(US8846656, 69-H)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C27H31ClN8O/c1-13-5-8-19-22(14(2)31-32-19)21(13)25-29-18-9-10-35(27-23(28)24(16-6-7-16)33-34(27)4)11-17(18)26(30-25)36-12-20(37)15(36)3/h5,8,15-16,20,37H,6-7,9-12H2,1-4H3,(H,31,32)/t15-,20+/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134588
PNG
(US8846656, 65-H)
Show SMILES COC1CN(C[C@@H]1N(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C33H43N7O/c1-19(2)23-11-9-20(3)27(15-23)39-14-13-25-24(16-39)33(40-17-28(38(6)7)29(18-40)41-8)35-32(34-25)30-21(4)10-12-26-31(30)22(5)36-37-26/h9-12,15,19,28-29H,13-14,16-18H2,1-8H3,(H,36,37)/t28-,29?/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134501
PNG
(US8846656, 19-AH)
Show SMILES CO[C@@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1Cl
Show InChI InChI=1S/C31H39ClN4O/c1-19(2)23-11-10-20(3)27(16-23)35-14-12-26-24(18-35)31(36-15-13-28(37-6)22(5)17-36)34-30(33-26)29-21(4)8-7-9-25(29)32/h7-11,16,19,22,28H,12-15,17-18H2,1-6H3/t22-,28-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134490
PNG
(US8846656, 19-F)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C34H42N6O/c1-19(2)23-9-7-20(3)30(15-23)39-14-13-28-27(18-39)34(40-24-10-11-25(40)17-26(16-24)41-6)36-33(35-28)31-21(4)8-12-29-32(31)22(5)37-38-29/h7-9,12,15,19,24-26H,10-11,13-14,16-18H2,1-6H3,(H,37,38)/t24-,25+,26+
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134575
PNG
(US8846656, 55-J)
Show SMILES CCO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39ClN8O/c1-6-41-21-11-14-40(18(3)15-21)30-22-16-39(31-27(32)28(20-8-9-20)37-38(31)5)13-12-23(22)33-29(34-30)25-17(2)7-10-24-26(25)19(4)35-36-24/h7,10,18,20-21H,6,8-9,11-16H2,1-5H3,(H,35,36)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134541
PNG
(US8846656, 25-C)
Show SMILES C[C@@H]1CN(CCN1c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1CC1)-c1cccc2[nH]cc(C)c12)C(C)=O
Show InChI InChI=1S/C33H38N6O/c1-20-8-9-25(24-10-11-24)16-30(20)38-13-12-28-27(19-38)33(39-15-14-37(23(4)40)18-22(39)3)36-32(35-28)26-6-5-7-29-31(26)21(2)17-34-29/h5-9,16-17,22,24,34H,10-15,18-19H2,1-4H3/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134528
PNG
(US8846656, 23-F)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(C)C)-c1c(ccc2[nH]ncc12)C(C)C
Show InChI InChI=1S/C32H44N8O/c1-19(2)21-9-10-25-22(16-33-36-25)29(21)30-34-24-11-13-39(28-15-26(20(3)4)37-38(28)7)17-23(24)31(35-30)40-14-12-27(41-8)32(5,6)18-40/h9-10,15-16,19-20,27H,11-14,17-18H2,1-8H3,(H,33,36)/t27-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134522
PNG
(US8846656, 21-AK)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)cccc1C
Show InChI InChI=1S/C30H35F3N4O/c1-18-9-10-22(30(31,32)33)16-26(18)36-13-12-25-24(17-36)29(37-14-11-23(38-5)15-21(37)4)35-28(34-25)27-19(2)7-6-8-20(27)3/h6-10,16,21,23H,11-15,17H2,1-5H3/t21-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134550
PNG
(US8846656, 32-A)
Show SMILES COc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(Cl)c12
Show InChI InChI=1S/C26H28ClN5O/c1-14(2)17-8-6-15(3)21(12-17)32-11-10-19-18(13-32)26(33-5)29-25(28-19)22-16(4)7-9-20-23(22)24(27)31-30-20/h6-9,12,14H,10-11,13H2,1-5H3,(H,30,31)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134540
PNG
(US8846656, 24-L)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1)-c1c(C)ccc2[nH]ncc12
Show InChI InChI=1S/C32H40N8O/c1-19(2)23-8-6-20(3)28(14-23)39-11-10-26-25(17-39)32(40-13-12-38(16-22(40)5)18-29(33)41)36-31(35-26)30-21(4)7-9-27-24(30)15-34-37-27/h6-9,14-15,19,22H,10-13,16-18H2,1-5H3,(H2,33,41)(H,34,37)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134521
PNG
(US8846656, 21-AJ)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H37F3N6O/c1-18-7-9-21(32(33,34)35)15-25(18)40-13-11-23-22(16-40)30(41-14-12-26(42-6)31(4,5)17-41)37-29(36-23)27-19(2)8-10-24-28(27)20(3)38-39-24/h7-10,15,26H,11-14,16-17H2,1-6H3,(H,38,39)/t26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134578
PNG
(US8846656, 55-N)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H34ClF3N8O/c1-15-7-8-19-22(16(2)36-37-19)21(15)25-34-18-9-11-40(27-23(30)24(29(31,32)33)38-39(27)5)13-17(18)26(35-25)41-12-10-20(42-6)28(3,4)14-41/h7-8,20H,9-14H2,1-6H3,(H,36,37)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134510
PNG
(US8846656, 21-P)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(Cl)ccc1C)-c1c(C)cccc1C
Show InChI InChI=1S/C29H35ClN4O/c1-18-9-10-22(30)16-26(18)33-13-12-25-24(17-33)29(34-14-11-23(35-5)15-21(34)4)32-28(31-25)27-19(2)7-6-8-20(27)3/h6-10,16,21,23H,11-15,17H2,1-5H3/t21-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134537
PNG
(US8846656, 24-G)
Show SMILES C[C@@H]1CN(CCN1CC(N)=O)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H34F3N7O/c1-18-7-8-21(31(32,33)34)13-26(18)40-10-9-24-23(16-40)30(41-12-11-39(17-27(35)42)20(3)15-41)38-29(37-24)22-5-4-6-25-28(22)19(2)14-36-25/h4-8,13-14,20,36H,9-12,15-17H2,1-3H3,(H2,35,42)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134532
PNG
(US8846656, 23-J)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H33F3N8O/c1-15-6-7-21-25(17(3)34-35-21)24(15)26-32-20-9-10-38(23-13-22(28(29,30)31)36-37(23)4)14-19(20)27(33-26)39-11-8-18(40-5)12-16(39)2/h6-7,13,16,18H,8-12,14H2,1-5H3,(H,34,35)/t16-,18-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134527
PNG
(US8846656, 23-D)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)cccc1C
Show InChI InChI=1S/C29H38N6O/c1-18-7-6-8-19(2)27(18)28-30-24-12-13-34(26-16-25(21-9-10-21)32-33(26)4)17-23(24)29(31-28)35-14-11-22(36-5)15-20(35)3/h6-8,16,20-22H,9-15,17H2,1-5H3/t20-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134539
PNG
(US8846656, 24-J)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)[C@H](C)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N7O/c1-20(2)24-10-9-21(3)29(15-24)39-12-11-27-26(18-39)33(40-14-13-38(19-30(34)41)23(5)17-40)37-32(36-27)25-7-6-8-28-31(25)22(4)16-35-28/h6-10,15-16,20,23,35H,11-14,17-19H2,1-5H3,(H2,34,41)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134597
PNG
(US8846656, 69-M)
Show SMILES Cc1n[nH]c2ccc(C)c(-c3nc4CCN(Cc4c(n3)N3CC[C@H]4OC[C@H]4C3)c3c(Cl)c(nn3C)C3CC3)c12
Show InChI InChI=1S/C29H33ClN8O/c1-15-4-7-21-24(16(2)33-34-21)23(15)27-31-20-8-10-38(29-25(30)26(17-5-6-17)35-36(29)3)13-19(20)28(32-27)37-11-9-22-18(12-37)14-39-22/h4,7,17-18,22H,5-6,8-14H2,1-3H3,(H,33,34)/t18-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134516
PNG
(US8846656, 21-AE)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C34H46N4O/c1-21(2)26-11-10-23(4)29(18-26)37-14-12-28-27(19-37)33(38-15-13-30(39-9)34(7,8)20-38)36-32(35-28)31-24(5)16-22(3)17-25(31)6/h10-11,16-18,21,30H,12-15,19-20H2,1-9H3/t30-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134549
PNG
(US8846656, 31-I)
Show SMILES COc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C27H31N5O/c1-15(2)19-9-7-16(3)23(13-19)32-12-11-21-20(14-32)27(33-6)29-26(28-21)24-17(4)8-10-22-25(24)18(5)30-31-22/h7-10,13,15H,11-12,14H2,1-6H3,(H,30,31)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134485
PNG
(US8846656, 17-AY)
Show SMILES CO[C@H]1CCN(C[C@@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)29(16-24)37-14-12-27-26(19-37)33(38-15-13-30(39-6)23(5)18-38)36-32(35-27)25-8-7-9-28-31(25)22(4)17-34-28/h7-11,16-17,20,23,30,34H,12-15,18-19H2,1-6H3/t23-,30-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134598
PNG
(US8846656, 70-G)
Show SMILES CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(nc(N3CCOC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H35ClN8O/c1-5-38-29(25(30)26(35-38)19-7-8-19)36-11-10-21-20(14-36)28(37-12-13-39-15-17(37)3)32-27(31-21)23-16(2)6-9-22-24(23)18(4)33-34-22/h6,9,17,19H,5,7-8,10-15H2,1-4H3,(H,33,34)/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134481
PNG
(US8846656, 17-AP)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC(O)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C29H33N5O/c1-17(2)20-9-8-18(3)26(12-20)33-11-10-24-23(16-33)29(34-14-21(35)15-34)32-28(31-24)22-6-5-7-25-27(22)19(4)13-30-25/h5-9,12-13,17,21,30,35H,10-11,14-16H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134471
PNG
(US8846656, 17-H)
Show SMILES CN(CC(C)(C)O)c1nc(nc2CCN(Cc12)c1ccccc1C)-c1c(C)cccc1C
Show InChI InChI=1S/C27H34N4O/c1-18-10-7-8-13-23(18)31-15-14-22-21(16-31)26(30(6)17-27(4,5)32)29-25(28-22)24-19(2)11-9-12-20(24)3/h7-13,32H,14-17H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134474
PNG
(US8846656, 17-R)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)30(17-24)37-14-13-28-27(19-37)33(38-15-12-25(39-6)16-23(38)5)36-32(35-28)26-8-7-9-29-31(26)22(4)18-34-29/h7-11,17-18,20,23,25,34H,12-16,19H2,1-6H3/t23-,25-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134556
PNG
(US8846656, 40-M)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1cc(ccc1C)C1CC1
Show InChI InChI=1S/C29H34N2/c1-5-21-8-7-9-22(6-2)29(21)27-16-20(4)25-18-31(15-14-26(25)30-27)28-17-24(23-12-13-23)11-10-19(28)3/h7-11,16-17,23H,5-6,12-15,18H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134484
PNG
(US8846656, 17-AV)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC[C@H](O)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H37N5O/c1-19(2)22-11-10-20(3)28(15-22)35-14-12-26-25(18-35)31(36-13-6-7-23(37)17-36)34-30(33-26)24-8-5-9-27-29(24)21(4)16-32-27/h5,8-11,15-16,19,23,32,37H,6-7,12-14,17-18H2,1-4H3/t23-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134599
PNG
(US8846656, 70-J)
Show SMILES C[C@@H]1COCCN1c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H33ClN8O/c1-15-5-8-21-23(17(3)32-33-21)22(15)26-30-20-9-10-36(28-24(29)25(18-6-7-18)34-35(28)4)13-19(20)27(31-26)37-11-12-38-14-16(37)2/h5,8,16,18H,6-7,9-14H2,1-4H3,(H,32,33)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134473
PNG
(US8846656, 17-P)
Show SMILES CO[C@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)30(17-24)37-14-13-28-27(19-37)33(38-15-12-25(39-6)16-23(38)5)36-32(35-28)26-8-7-9-29-31(26)22(4)18-34-29/h7-11,17-18,20,23,25,34H,12-16,19H2,1-6H3/t23-,25+/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM24532
PNG
(US8846656, 42-I)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(C(C)Cc2n1)c1c(Cl)c(nn1C)C1CC1
Show InChI InChI=1S/C27H33ClN4/c1-6-18-9-8-10-19(7-2)24(18)23-13-16(3)21-15-32(17(4)14-22(21)29-23)27-25(28)26(20-11-12-20)30-31(27)5/h8-10,13,17,20H,6-7,11-12,14-15H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134488
PNG
(US8846656, 17-BG)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC(C3)N(C)C)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H38N6/c1-19(2)22-11-10-20(3)28(14-22)36-13-12-26-25(18-36)31(37-16-23(17-37)35(5)6)34-30(33-26)24-8-7-9-27-29(24)21(4)15-32-27/h7-11,14-15,19,23,32H,12-13,16-18H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134547
PNG
(US8846656, 30-A)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(C4COC4)[C@H](C)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H42N6O/c1-21(2)25-10-9-22(3)31(15-25)38-12-11-29-28(18-38)34(39-13-14-40(24(5)17-39)26-19-41-20-26)37-33(36-29)27-7-6-8-30-32(27)23(4)16-35-30/h6-10,15-16,21,24,26,35H,11-14,17-20H2,1-5H3/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134482
PNG
(US8846656, 17-AQ)
Show SMILES CO[C@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)29(16-24)37-14-12-27-26(19-37)33(38-15-13-30(39-6)23(5)18-38)36-32(35-27)25-8-7-9-28-31(25)22(4)17-34-28/h7-11,16-17,20,23,30,34H,12-15,18-19H2,1-6H3/t23-,30+/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134592
PNG
(US8846656, 68-C)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H36ClN9/c1-16-6-9-22-24(17(2)33-34-22)23(16)27-31-21-11-13-39(29-25(30)26(18-7-8-18)35-37(29)5)15-20(21)28(32-27)38-12-10-19(14-38)36(3)4/h6,9,18-19H,7-8,10-15H2,1-5H3,(H,33,34)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134496
PNG
(US8846656, 19-AB)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)cccc1C
Show InChI InChI=1S/C31H37F3N4O/c1-19-10-11-22(31(32,33)34)16-25(19)37-14-12-24-23(17-37)29(38-15-13-26(39-6)30(4,5)18-38)36-28(35-24)27-20(2)8-7-9-21(27)3/h7-11,16,26H,12-15,17-18H2,1-6H3/t26-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134570
PNG
(US8846656, 53)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(C(C)=O)C4(CC4)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H40N6O/c1-21(2)25-10-9-22(3)30(17-25)38-14-11-28-27(19-38)33(39-15-16-40(24(5)41)34(20-39)12-13-34)37-32(36-28)26-7-6-8-29-31(26)23(4)18-35-29/h6-10,17-18,21,35H,11-16,19-20H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134477
PNG
(US8846656, 17-AI)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC(O)C(C)(C)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C33H41N5O/c1-20(2)23-11-10-21(3)28(16-23)37-14-12-26-25(18-37)32(38-15-13-29(39)33(5,6)19-38)36-31(35-26)24-8-7-9-27-30(24)22(4)17-34-27/h7-11,16-17,20,29,34,39H,12-15,18-19H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134600
PNG
(US8846656, 70-K)
Show SMILES CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(nc(N3CC(C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H36ClN9/c1-6-39-29(25(30)26(35-39)18-8-9-18)37-12-11-21-20(15-37)28(38-13-19(14-38)36(4)5)32-27(31-21)23-16(2)7-10-22-24(23)17(3)33-34-22/h7,10,18-19H,6,8-9,11-15H2,1-5H3,(H,33,34)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134564
PNG
(US8846656, 46-A)
Show SMILES CC(C)c1ccc2[nH]ncc2c1-c1cc(C)c2CN(CCc2n1)c1cc(nn1C)C1CC1
Show InChI InChI=1S/C26H30N6/c1-15(2)18-7-8-22-19(13-27-29-22)26(18)24-11-16(3)20-14-32(10-9-21(20)28-24)25-12-23(17-5-6-17)30-31(25)4/h7-8,11-13,15,17H,5-6,9-10,14H2,1-4H3,(H,27,29)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134543
PNG
(US8846656, 26-B)
Show SMILES C[C@@H]1CN(CCN1c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1cccc2[nH]cc(C)c12)C(C)=O
Show InChI InChI=1S/C34H40N6O2/c1-21-9-10-25(34(5)19-42-20-34)15-30(21)39-12-11-28-27(18-39)33(40-14-13-38(24(4)41)17-23(40)3)37-32(36-28)26-7-6-8-29-31(26)22(2)16-35-29/h6-10,15-16,23,35H,11-14,17-20H2,1-5H3/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134560
PNG
(US8846656, 41-E)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1cccc2[nH]nc(C)c12
Show InChI InChI=1S/C27H30N4/c1-16(2)20-10-9-17(3)26(14-20)31-12-11-23-22(15-31)18(4)13-25(28-23)21-7-6-8-24-27(21)19(5)29-30-24/h6-10,13-14,16H,11-12,15H2,1-5H3,(H,29,30)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134563
PNG
(US8846656, 41-J)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1cc(ccc1C)C(C)C
Show InChI InChI=1S/C29H36N2/c1-7-22-10-9-11-23(8-2)29(22)27-16-21(6)25-18-31(15-14-26(25)30-27)28-17-24(19(3)4)13-12-20(28)5/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134583
PNG
(US8846656, 63-E)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(OCC(F)F)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H31F2N5O/c1-15(2)19-8-6-16(3)23(12-19)35-11-10-21-20(13-35)28(36-14-24(29)30)32-27(31-21)25-17(4)7-9-22-26(25)18(5)33-34-22/h6-9,12,15,24H,10-11,13-14H2,1-5H3,(H,33,34)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134506
PNG
(US8846656, 21-E)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cc(C)ccc1C
Show InChI InChI=1S/C32H42N4O/c1-20(2)25-11-10-23(5)30(18-25)35-14-13-29-28(19-35)32(36-15-12-26(37-7)17-24(36)6)34-31(33-29)27-16-21(3)8-9-22(27)4/h8-11,16,18,20,24,26H,12-15,17,19H2,1-7H3/t24-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134542
PNG
(US8846656, 25-F)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(C[C@H]3C)C(C)=O)c2C1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C31H36F3N5O/c1-19(2)23-11-10-20(3)28(16-23)38-13-12-27-25(18-38)30(39-15-14-37(22(5)40)17-21(39)4)36-29(35-27)24-8-6-7-9-26(24)31(32,33)34/h6-11,16,19,21H,12-15,17-18H2,1-5H3/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM23355
PNG
(BDBM25327 | US8846656, 46-C)
Show SMILES COc1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
Show InChI InChI=1S/C25H26N4O/c1-15-5-7-18(30-4)12-24(15)29-10-9-21-20(14-29)17(3)11-23(27-21)25-16(2)6-8-22-19(25)13-26-28-22/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,28)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM23355
PNG
(BDBM25327 | US8846656, 46-C)
Show SMILES COc1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
Show InChI InChI=1S/C25H26N4O/c1-15-5-7-18(30-4)12-24(15)29-10-9-21-20(14-29)17(3)11-23(27-21)25-16(2)6-8-22-19(25)13-26-28-22/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,28)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134493
PNG
(US8846656, 19-N)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1CC1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H41N5O/c1-21-9-10-24(23-11-12-23)17-29(21)38-15-13-27-26(19-38)33(39-16-14-30(40-5)34(3,4)20-39)37-32(36-27)25-7-6-8-28-31(25)22(2)18-35-28/h6-10,17-18,23,30,35H,11-16,19-20H2,1-5H3/t30-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134472
PNG
(US8846656, 17-M)
Show SMILES CC(C)[C@H](CO)Nc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H39N5O/c1-18(2)22-11-10-20(5)28(14-22)36-13-12-25-24(16-36)31(34-27(17-37)19(3)4)35-30(33-25)23-8-7-9-26-29(23)21(6)15-32-26/h7-11,14-15,18-19,27,32,37H,12-13,16-17H2,1-6H3,(H,33,34,35)/t27-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134513
PNG
(US8846656, 21-S)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccnc1C
Show InChI InChI=1S/C31H41N5O/c1-19(2)24-9-8-20(3)28(17-24)35-14-12-27-26(18-35)31(36-15-11-25(37-7)16-22(36)5)34-30(33-27)29-21(4)10-13-32-23(29)6/h8-10,13,17,19,22,25H,11-12,14-16,18H2,1-7H3/t22-,25-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134584
PNG
(US8846656, 63-G)
Show SMILES CNCCOc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H36N6O/c1-17(2)21-9-7-18(3)25(15-21)35-13-11-23-22(16-35)29(36-14-12-30-6)32-28(31-23)26-19(4)8-10-24-27(26)20(5)33-34-24/h7-10,15,17,30H,11-14,16H2,1-6H3,(H,33,34)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134480
PNG
(US8846656, 17-AN)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC[C@H](O)[C@H](C)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C32H39N5O/c1-19(2)23-10-9-20(3)28(15-23)36-13-11-26-25(18-36)32(37-14-12-29(38)22(5)17-37)35-31(34-26)24-7-6-8-27-30(24)21(4)16-33-27/h6-10,15-16,19,22,29,33,38H,11-14,17-18H2,1-5H3/t22-,29+/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134534
PNG
(US8846656, 24-C)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1)-c1cc(C)ccc1C
Show InChI InChI=1S/C32H42N6O/c1-20(2)25-10-9-23(5)29(16-25)37-12-11-28-27(18-37)32(38-14-13-36(17-24(38)6)19-30(33)39)35-31(34-28)26-15-21(3)7-8-22(26)4/h7-10,15-16,20,24H,11-14,17-19H2,1-6H3,(H2,33,39)/t24-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134503
PNG
(US8846656, 19-AK)
Show SMILES CO[C@@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C#N
Show InChI InChI=1S/C32H39N5O/c1-20(2)24-11-10-21(3)28(16-24)36-14-12-27-26(19-36)32(37-15-13-29(38-6)23(5)18-37)35-31(34-27)30-22(4)8-7-9-25(30)17-33/h7-11,16,20,23,29H,12-15,18-19H2,1-6H3/t23-,29-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134585
PNG
(US8846656, 63-I)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(OCCN3CCOCC3)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C32H40N6O2/c1-20(2)24-8-6-21(3)28(18-24)38-11-10-26-25(19-38)32(40-17-14-37-12-15-39-16-13-37)34-31(33-26)29-22(4)7-9-27-30(29)23(5)35-36-27/h6-9,18,20H,10-17,19H2,1-5H3,(H,35,36)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134557
PNG
(US8846656, 40-P)
Show SMILES CCn1nc(C)c(N2CCc3nc(cc(C)c3C2)-c2c(C)ccc3[nH]ncc23)c1C
Show InChI InChI=1S/C24H28N6/c1-6-30-17(5)24(16(4)28-30)29-10-9-20-19(13-29)15(3)11-22(26-20)23-14(2)7-8-21-18(23)12-25-27-21/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,25,27)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM24023
PNG
(US8846656, 44-E)
Show SMILES Cc1c[nH]c2cccc(-c3cc(C)c4CN(CCc4n3)c3c(C)cccc3C)c12
Show InChI InChI=1S/C26H27N3/c1-16-7-5-8-17(2)26(16)29-12-11-22-21(15-29)18(3)13-24(28-22)20-9-6-10-23-25(20)19(4)14-27-23/h5-10,13-14,27H,11-12,15H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134486
PNG
(US8846656, 17-AZ)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC[C@@H]3CO)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H37N5O/c1-19(2)22-11-10-20(3)28(15-22)35-14-12-26-25(17-35)31(36-13-6-7-23(36)18-37)34-30(33-26)24-8-5-9-27-29(24)21(4)16-32-27/h5,8-11,15-16,19,23,32,37H,6-7,12-14,17-18H2,1-4H3/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134526
PNG
(US8846656, 23-C)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C29H40N6O/c1-18(2)25-16-26(33(6)32-25)34-13-12-24-23(17-34)29(35-14-11-22(36-7)15-21(35)5)31-28(30-24)27-19(3)9-8-10-20(27)4/h8-10,16,18,21-22H,11-15,17H2,1-7H3/t21-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134565
PNG
(US8846656, 46-B)
Show SMILES CC(C)c1ccc2[nH]ncc2c1-c1cc(C)c2CN(CCc2n1)c1c(Cl)c(nn1C)C1CC1
Show InChI InChI=1S/C26H29ClN6/c1-14(2)17-7-8-21-18(12-28-30-21)23(17)22-11-15(3)19-13-33(10-9-20(19)29-22)26-24(27)25(16-5-6-16)31-32(26)4/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3,(H,28,30)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134483
PNG
(US8846656, 17-AS)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C34H41N5O/c1-20(2)23-10-9-21(3)31(15-23)38-14-13-29-28(19-38)34(39-24-11-12-25(39)17-26(16-24)40-5)37-33(36-29)27-7-6-8-30-32(27)22(4)18-35-30/h6-10,15,18,20,24-26,35H,11-14,16-17,19H2,1-5H3/t24-,25+,26+
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134495
PNG
(US8846656, 19-X)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1CC1)-c1c(Cl)cnc2[nH]ccc12
Show InChI InChI=1S/C32H37ClN6O/c1-19-5-6-21(20-7-8-20)15-26(19)38-13-10-25-23(17-38)31(39-14-11-27(40-4)32(2,3)18-39)37-30(36-25)28-22-9-12-34-29(22)35-16-24(28)33/h5-6,9,12,15-16,20,27H,7-8,10-11,13-14,17-18H2,1-4H3,(H,34,35)/t27-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134467
PNG
(US8846656, 16-I)
Show SMILES CC(C)c1cc(N2CCc3nc(nc(N4CCCC(C)(C)C4)c3C2)-c2c(C)cccc2C)n(C)n1
Show InChI InChI=1S/C29H40N6/c1-19(2)24-16-25(33(7)32-24)34-15-12-23-22(17-34)28(35-14-9-13-29(5,6)18-35)31-27(30-23)26-20(3)10-8-11-21(26)4/h8,10-11,16,19H,9,12-15,17-18H2,1-7H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM23571
PNG
(US8846656, 41-D | US8846656, 43-A)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
Show InChI InChI=1S/C27H30N4/c1-16(2)20-8-6-17(3)26(13-20)31-11-10-23-22(15-31)19(5)12-25(29-23)27-18(4)7-9-24-21(27)14-28-30-24/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,30)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134475
PNG
(US8846656, 17-T)
Show SMILES CN(C)c1nc(nc2CCN(Cc12)c1ccccc1C)-c1c(C)cccc1C
Show InChI InChI=1S/C24H28N4/c1-16-9-6-7-12-21(16)28-14-13-20-19(15-28)24(27(4)5)26-23(25-20)22-17(2)10-8-11-18(22)3/h6-12H,13-15H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134508
PNG
(US8846656, 21-M)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cncc1C
Show InChI InChI=1S/C32H43N5O/c1-20(2)24-10-9-21(3)27(15-24)36-13-11-26-25(18-36)31(37-14-12-28(38-8)32(6,7)19-37)35-30(34-26)29-22(4)16-33-17-23(29)5/h9-10,15-17,20,28H,11-14,18-19H2,1-8H3/t28-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM24024
PNG
(US8846656, 47-B)
Show SMILES CCn1cc(N2CCc3nc(cc(C)c3C2)-c2cccc3[nH]cc(C)c23)c(C)n1
Show InChI InChI=1S/C24H27N5/c1-5-29-14-23(17(4)27-29)28-10-9-20-19(13-28)15(2)11-22(26-20)18-7-6-8-21-24(18)16(3)12-25-21/h6-8,11-12,14,25H,5,9-10,13H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM23571
PNG
(US8846656, 41-D | US8846656, 43-A)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
Show InChI InChI=1S/C27H30N4/c1-16(2)20-8-6-17(3)26(13-20)31-11-10-23-22(15-31)19(5)12-25(29-23)27-18(4)7-9-24-21(27)14-28-30-24/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,30)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM24439
PNG
(US8846656, 42-H)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(C(C)Cc2n1)c1cc(nn1C)C1CC1
Show InChI InChI=1S/C27H34N4/c1-6-19-9-8-10-20(7-2)27(19)25-13-17(3)22-16-31(18(4)14-24(22)28-25)26-15-23(21-11-12-21)29-30(26)5/h8-10,13,15,18,21H,6-7,11-12,14,16H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134533
PNG
(US8846656, 23-K)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C29H35F3N8O/c1-16-7-8-20-25(17(2)35-36-20)24(16)26-33-19-9-11-39(23-13-21(29(30,31)32)37-38(23)5)14-18(19)27(34-26)40-12-10-22(41-6)28(3,4)15-40/h7-8,13,22H,9-12,14-15H2,1-6H3,(H,35,36)/t22-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134491
PNG
(US8846656, 19-K)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1CC1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H37F3N4O/c1-20-9-10-22(21-11-12-21)17-27(20)38-15-13-26-24(18-38)30(39-16-14-28(40-4)31(2,3)19-39)37-29(36-26)23-7-5-6-8-25(23)32(33,34)35/h5-10,17,21,28H,11-16,18-19H2,1-4H3/t28-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134595
PNG
(US8846656, 69-J)
Show SMILES CN(C)C1CN(C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H34ClN9/c1-15-6-9-21-23(16(2)32-33-21)22(15)26-30-20-10-11-37(28-24(29)25(17-7-8-17)34-36(28)5)14-19(20)27(31-26)38-12-18(13-38)35(3)4/h6,9,17-18H,7-8,10-14H2,1-5H3,(H,32,33)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134553
PNG
(US8846656, 39-D)
Show SMILES COCCCOc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C29H37N3O2/c1-19(2)23-12-11-20(3)26(17-23)32-14-13-25-24(18-32)29(34-16-8-15-33-6)31-28(30-25)27-21(4)9-7-10-22(27)5/h7,9-12,17,19H,8,13-16,18H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134536
PNG
(US8846656, 24-E)
Show SMILES C[C@@H]1CN(CCN1CC(N)=O)c1nc(nc2CCN(Cc12)c1cc(F)ccc1C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C30H34FN7O/c1-18-7-8-21(31)13-26(18)37-10-9-24-23(16-37)30(38-12-11-36(17-27(32)39)20(3)15-38)35-29(34-24)22-5-4-6-25-28(22)19(2)14-33-25/h4-8,13-14,20,33H,9-12,15-17H2,1-3H3,(H2,32,39)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134548
PNG
(US8846656, 31-H)
Show SMILES COc1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C28H31N5O2/c1-16-6-8-19(28(4)14-35-15-28)12-23(16)33-11-10-21-20(13-33)27(34-5)30-26(29-21)24-17(2)7-9-22-25(24)18(3)31-32-22/h6-9,12H,10-11,13-15H2,1-5H3,(H,31,32)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM25326
PNG
(US8846656, 40-S)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C28H31N3/c1-17(2)21-10-9-18(3)27(14-21)31-12-11-24-23(16-31)19(4)13-26(30-24)22-7-6-8-25-28(22)20(5)15-29-25/h6-10,13-15,17,29H,11-12,16H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134552
PNG
(US8846656, 33-C)
Show SMILES COC1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)[C@@H](C)c1ccccc1)-c1c(C)cccc1C
Show InChI InChI=1S/C31H40N4O/c1-21-11-10-12-22(2)28(21)29-32-26-15-17-34(23(3)24-13-8-7-9-14-24)19-25(26)30(33-29)35-18-16-27(36-6)31(4,5)20-35/h7-14,23,27H,15-20H2,1-6H3/t23-,27?/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134468
PNG
(US8846656, 16-O)
Show SMILES Cc1cc(N2CCc3nc(nc(N4CCCC(C)(C)C4)c3C2)-c2c(C)cccc2C)n(C)n1
Show InChI InChI=1S/C27H36N6/c1-18-9-7-10-19(2)24(18)25-28-22-11-14-32(23-15-20(3)30-31(23)6)16-21(22)26(29-25)33-13-8-12-27(4,5)17-33/h7,9-10,15H,8,11-14,16-17H2,1-6H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134535
PNG
(US8846656, 24-D)
Show SMILES C[C@@H]1CN(CCN1CC(N)=O)c1nc(nc2CCN(Cc12)c1ccccc1C(F)(F)F)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C30H32F3N7O/c1-18-14-35-24-8-5-6-20(27(18)24)28-36-23-10-11-39(25-9-4-3-7-22(25)30(31,32)33)16-21(23)29(37-28)40-13-12-38(17-26(34)41)19(2)15-40/h3-9,14,19,35H,10-13,15-17H2,1-2H3,(H2,34,41)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134478
PNG
(US8846656, 17-AJ)
Show SMILES CNc1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C27H31N5/c1-16(2)19-10-9-17(3)24(13-19)32-12-11-22-21(15-32)26(28-5)31-27(30-22)20-7-6-8-23-25(20)18(4)14-29-23/h6-10,13-14,16,29H,11-12,15H2,1-5H3,(H,28,30,31)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134494
PNG
(US8846656, 19-Q)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCCC(C)(C)C3)c2C1)-c1cc(Cl)ccc1CO
Show InChI InChI=1S/C31H39ClN4O/c1-20(2)22-8-7-21(3)28(15-22)35-14-11-27-26(17-35)30(36-13-6-12-31(4,5)19-36)34-29(33-27)25-16-24(32)10-9-23(25)18-37/h7-10,15-16,20,37H,6,11-14,17-19H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM25046
PNG
(US8846656, 44-D)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1c(C)ccnc1C
Show InChI InChI=1S/C26H31N3/c1-6-20-9-8-10-21(7-2)25(20)24-15-18(4)22-16-29(14-12-23(22)28-24)26-17(3)11-13-27-19(26)5/h8-11,13,15H,6-7,12,14,16H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134554
PNG
(US8846656, 40-D)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1=O)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C28H29N3O/c1-16(2)20-10-9-17(3)25(14-20)31-12-11-23-27(28(31)32)18(4)13-24(30-23)21-7-6-8-22-26(21)19(5)15-29-22/h6-10,13-16,29H,11-12H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134476
PNG
(US8846656, 17-Y)
Show SMILES Cc1ccccc1N1CCc2nc(nc(N3CCOC(C)(C)C3)c2C1)-c1c(C)cccc1C
Show InChI InChI=1S/C28H34N4O/c1-19-9-6-7-12-24(19)31-14-13-23-22(17-31)27(32-15-16-33-28(4,5)18-32)30-26(29-23)25-20(2)10-8-11-21(25)3/h6-12H,13-18H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134489
PNG
(US8846656, 17-BK)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(Cl)ccc1C)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H36ClN5O/c1-19-9-10-21(32)15-26(19)36-13-11-24-23(17-36)30(37-14-12-27(38-5)31(3,4)18-37)35-29(34-24)22-7-6-8-25-28(22)20(2)16-33-25/h6-10,15-16,27,33H,11-14,17-18H2,1-5H3/t27-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134504
PNG
(US8846656, 20-D)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCCC(C)(C)C3)c2C1)-c1c(cnc2[nH]ccc12)C1CC1
Show InChI InChI=1S/C34H42N6/c1-21(2)24-8-7-22(3)29(17-24)39-16-12-28-27(19-39)33(40-15-6-13-34(4,5)20-40)38-32(37-28)30-25-11-14-35-31(25)36-18-26(30)23-9-10-23/h7-8,11,14,17-18,21,23H,6,9-10,12-13,15-16,19-20H2,1-5H3,(H,35,36)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134555
PNG
(US8846656, 40-L)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1ccc(C)cc1C
Show InChI InChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134568
PNG
(US8846656, 51-D)
Show SMILES COCCN(C)c1cc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C30H39N3O/c1-20(2)24-12-11-21(3)28(17-24)33-14-13-26-25(19-33)29(32(6)15-16-34-7)18-27(31-26)30-22(4)9-8-10-23(30)5/h8-12,17-18,20H,13-16,19H2,1-7H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134566
PNG
(US8846656, 48)
Show SMILES CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1nnnn1C
Show InChI InChI=1S/C21H26N6/c1-5-15-8-7-9-16(6-2)20(15)19-12-14(3)17-13-27(11-10-18(17)22-19)21-23-24-25-26(21)4/h7-9,12H,5-6,10-11,13H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134514
PNG
(US8846656, 21-X)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)cccc1C
Show InChI InChI=1S/C34H42N4O2/c1-21-9-10-24(34(4)19-40-20-34)15-30(21)37-14-13-29-28(18-37)33(38-25-11-12-26(38)17-27(16-25)39-5)36-32(35-29)31-22(2)7-6-8-23(31)3/h6-10,15,25-27H,11-14,16-20H2,1-5H3/t25-,26+,27+
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134469
PNG
(US8846656, 16-V)
Show SMILES CC(C)c1cc(N2CCc3nc(nc(N4CCCC(O)C4)c3C2)-c2c(C)cccc2C)n(C)n1
Show InChI InChI=1S/C27H36N6O/c1-17(2)23-14-24(31(5)30-23)32-13-11-22-21(16-32)27(33-12-7-10-20(34)15-33)29-26(28-22)25-18(3)8-6-9-19(25)4/h6,8-9,14,17,20,34H,7,10-13,15-16H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134487
PNG
(US8846656, 17-BE)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC4(COC4)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C31H35N5O/c1-19(2)22-9-8-20(3)27(12-22)35-11-10-25-24(14-35)30(36-15-31(16-36)17-37-18-31)34-29(33-25)23-6-5-7-26-28(23)21(4)13-32-26/h5-9,12-13,19,32H,10-11,14-18H2,1-4H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134538
PNG
(US8846656, 24-I)
Show SMILES C[C@@H]1CN(CCN1CC(N)=O)c1nc(nc2CCN(Cc12)c1ccc(F)cc1F)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1S/C29H31F2N7O/c1-17-13-33-24-5-3-4-20(27(17)24)28-34-23-8-9-37(25-7-6-19(30)12-22(25)31)15-21(23)29(35-28)38-11-10-36(16-26(32)39)18(2)14-38/h3-7,12-13,18,33H,8-11,14-16H2,1-2H3,(H2,32,39)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134561
PNG
(US8846656, 41-F)
Show SMILES COc1ccc(Cl)c(c1)-c1cc(C)c2CN(CCc2n1)c1cc(ccc1C)C(C)C
Show InChI InChI=1S/C26H29ClN2O/c1-16(2)19-7-6-17(3)26(13-19)29-11-10-24-22(15-29)18(4)12-25(28-24)21-14-20(30-5)8-9-23(21)27/h6-9,12-14,16H,10-11,15H2,1-5H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134492
PNG
(US8846656, 19-L)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1cccc2cnn(C)c12
Show InChI InChI=1S/C34H42N6O2/c1-22-10-11-24(34(4)20-42-21-34)16-28(22)39-14-12-27-26(18-39)32(40-15-13-29(41-6)33(2,3)19-40)37-31(36-27)25-9-7-8-23-17-35-38(5)30(23)25/h7-11,16-17,29H,12-15,18-21H2,1-6H3/t29-/m0/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134567
PNG
(US8846656, 50-E)
Show SMILES COCCN(C)c1cc(nc2CCN(C(=O)c12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C
Show InChI InChI=1S/C30H37N3O2/c1-19(2)23-12-11-20(3)26(17-23)33-14-13-24-29(30(33)34)27(32(6)15-16-35-7)18-25(31-24)28-21(4)9-8-10-22(28)5/h8-12,17-19H,13-16H2,1-7H3
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM25051
PNG
(US8846656, 43-D)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)cnc2[nH]ccc12
Show InChI InChI=1S/C27H30N4/c1-16(2)20-7-6-17(3)25(13-20)31-11-9-23-22(15-31)18(4)12-24(30-23)26-19(5)14-29-27-21(26)8-10-28-27/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,28,29)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134558
PNG
(US8846656, 40-Q)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc(C)c2CN(CCc2n1)c1cc(nn1C)C1CC1
Show InChI InChI=1S/C24H26N6/c1-14-4-7-20-17(12-25-27-20)24(14)22-10-15(2)18-13-30(9-8-19(18)26-22)23-11-21(16-5-6-16)28-29(23)3/h4,7,10-12,16H,5-6,8-9,13H2,1-3H3,(H,25,27)
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%