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Compile Data Set for Download or QSAR

Found 1642 hits of ic50 data for polymerid = 6539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor 1


(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 |r|
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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n/an/a 0.5n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 0.5n/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced cell degranulation preincubated for 30 mins ...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(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 |r|
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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 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human blood granulocytes assessed as inhibition of recombinant human C5a-induced CD11b expression on granulocytes pre...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human HL60 cells assessed as inhibition of recombinant human C5a-induced oxidative burst after 30 mins by fluorescenc...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followed...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced intracellular calcium mobilization preincuba...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human C5aR1 expressed in Sf9 insect cell membranes co-expressing G-alphai2,G-beta1 and G-gamma2 assessed as inhibi...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462093
PNG
(CHEMBL4245250)
Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followe...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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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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 1


(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 |r|
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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 1


(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
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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 1


(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 |r|
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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 1


(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 |r|
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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 1


(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 |r|
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n/an/a 1n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 1n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 1n/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50275728
PNG
(CHEMBL486749 | N-(4-chlorophenethyl)-2-isobutyl-N-...)
Show SMILES CC(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C27H34ClNO3/c1-20(2)19-22-5-3-4-6-25(22)26(30)29(16-13-21-7-9-23(28)10-8-21)24-11-14-27(15-12-24)31-17-18-32-27/h3-10,20,24H,11-19H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells


Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50462086
PNG
(CHEMBL1628668)
Show SMILES COc1ccc2CCCC(C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1
Show InChI InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
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n/an/a 2n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of 0.1 nM recombinant human C5a-induced intracellular calcium release


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r,THB:10:9:3.2.8:6.5|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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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n/an/a 2n/an/an/an/an/an/a



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 1


(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 |r|
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n/an/a 2n/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50462086
PNG
(CHEMBL1628668)
Show SMILES COc1ccc2CCCC(C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1
Show InChI InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
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The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C5aR1 in HMDM assessed as inhibition of 1 nM recombinant human C5a-induced intracellular calcium release preincubated for 1 hr...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50266072
PNG
((+/-)-ethyl 2-(N-(1,4-dioxaspiro[4.5]decan-8-yl)-1...)
Show SMILES CCOC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C30H32ClNO5/c1-2-35-29(34)27(20-21-10-12-23(31)13-11-21)32(24-14-16-30(17-15-24)36-18-19-37-30)28(33)26-9-5-7-22-6-3-4-8-25(22)26/h3-13,24,27H,2,14-20H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from C5a receptor in cAMP differentiated human U937 cells by filtration assay


Bioorg Med Chem Lett 18: 5605-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.101
BindingDB Entry DOI: 10.7270/Q2M61K31
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(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)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 3n/an/an/an/an/an/a



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 1


(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 |r|
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
PDB

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



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 1


(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 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



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
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