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PubMed code 26522948

Compile data set for download or QSAR
Found 77 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
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499169
PNG
(CHEMBL3735507)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C21H28BrN7O5/c1-3-11(2)16(29-17(30)12-7-13(22)9-25-8-12)19-28-15(10-34-19)18(31)27-14(20(32)33)5-4-6-26-21(23)24/h7-11,14,16H,3-6H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H4,23,24,26)/t11-,14-,16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499169
PNG
(CHEMBL3735507)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C21H28BrN7O5/c1-3-11(2)16(29-17(30)12-7-13(22)9-25-8-12)19-28-15(10-34-19)18(31)27-14(20(32)33)5-4-6-26-21(23)24/h7-11,14,16H,3-6H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H4,23,24,26)/t11-,14-,16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50462106
PNG
(CHEMBL3736108)
Show SMILES CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50462106
PNG
(CHEMBL3736108)
Show SMILES CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499167
PNG
(CHEMBL3735614)
Show SMILES NC(=O)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H27N3O5/c23-22(29)24-13-7-12-19(21(27)28)25-20(26)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,25,26)(H,27,28)(H3,23,24,29)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from human C3aR expressed in rat RBL-2H3 cells

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499171
PNG
(CHEMBL3735339)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c(C)o1 |r|
Show InChI InChI=1S/C21H36N6O6/c1-11(2)10-14(26-20(31)33-21(4,5)6)17-27-15(12(3)32-17)16(28)25-13(18(29)30)8-7-9-24-19(22)23/h11,13-14H,7-10H2,1-6H3,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t13-,14-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499168
PNG
(CHEMBL3735760)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-11(2)9-13(26-19(30)32-20(3,4)5)16-25-14(10-31-16)15(27)24-12(17(28)29)7-6-8-23-18(21)22/h10-13H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t12-,13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499168
PNG
(CHEMBL3735760)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-11(2)9-13(26-19(30)32-20(3,4)5)16-25-14(10-31-16)15(27)24-12(17(28)29)7-6-8-23-18(21)22/h10-13H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t12-,13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499179
PNG
(CHEMBL3736519)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H30N6O5/c1-3-13(2)17(28-18(29)14-8-5-4-6-9-14)20-27-16(12-33-20)19(30)26-15(21(31)32)10-7-11-25-22(23)24/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3,(H,26,30)(H,28,29)(H,31,32)(H4,23,24,25)/t13-,15-,17-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499179
PNG
(CHEMBL3736519)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H30N6O5/c1-3-13(2)17(28-18(29)14-8-5-4-6-9-14)20-27-16(12-33-20)19(30)26-15(21(31)32)10-7-11-25-22(23)24/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3,(H,26,30)(H,28,29)(H,31,32)(H4,23,24,25)/t13-,15-,17-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499172
PNG
(CHEMBL3736239)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-6-11(2)14(26-19(30)32-20(3,4)5)16-25-13(10-31-16)15(27)24-12(17(28)29)8-7-9-23-18(21)22/h10-12,14H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t11-,12-,14-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499172
PNG
(CHEMBL3736239)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-6-11(2)14(26-19(30)32-20(3,4)5)16-25-13(10-31-16)15(27)24-12(17(28)29)8-7-9-23-18(21)22/h10-12,14H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t11-,12-,14-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499173
PNG
(CHEMBL3735240)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(C)c1ccc2cc(OC)ccc2c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H38N6O6/c1-5-16(2)24(35-25(36)17(3)18-8-9-20-14-21(40-4)11-10-19(20)13-18)27-34-23(15-41-27)26(37)33-22(28(38)39)7-6-12-32-29(30)31/h8-11,13-17,22,24H,5-7,12H2,1-4H3,(H,33,37)(H,35,36)(H,38,39)(H4,30,31,32)/t16-,17?,22-,24-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499183
PNG
(CHEMBL3735764)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H34N6O6/c1-3-17(2)23(34-24(35)19-12-7-8-14-22(19)40-18-10-5-4-6-11-18)26-33-21(16-39-26)25(36)32-20(27(37)38)13-9-15-31-28(29)30/h4-8,10-12,14,16-17,20,23H,3,9,13,15H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H4,29,30,31)/t17-,20-,23-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499173
PNG
(CHEMBL3735240)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(C)c1ccc2cc(OC)ccc2c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H38N6O6/c1-5-16(2)24(35-25(36)17(3)18-8-9-20-14-21(40-4)11-10-19(20)13-18)27-34-23(15-41-27)26(37)33-22(28(38)39)7-6-12-32-29(30)31/h8-11,13-17,22,24H,5-7,12H2,1-4H3,(H,33,37)(H,35,36)(H,38,39)(H4,30,31,32)/t16-,17?,22-,24-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499183
PNG
(CHEMBL3735764)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H34N6O6/c1-3-17(2)23(34-24(35)19-12-7-8-14-22(19)40-18-10-5-4-6-11-18)26-33-21(16-39-26)25(36)32-20(27(37)38)13-9-15-31-28(29)30/h4-8,10-12,14,16-17,20,23H,3,9,13,15H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H4,29,30,31)/t17-,20-,23-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499170
PNG
(CHEMBL3736505)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C23H31FN6O5/c1-13(2)10-17(28-19(31)11-14-5-7-15(24)8-6-14)21-30-18(12-35-21)20(32)29-16(22(33)34)4-3-9-27-23(25)26/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)(H4,25,26,27)/t16-,17-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499170
PNG
(CHEMBL3736505)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C23H31FN6O5/c1-13(2)10-17(28-19(31)11-14-5-7-15(24)8-6-14)21-30-18(12-35-21)20(32)29-16(22(33)34)4-3-9-27-23(25)26/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)(H4,25,26,27)/t16-,17-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499182
PNG
(CHEMBL3736020)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCc2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H36N6O5/c1-3-15(2)21(32-22(33)18-11-6-9-16-8-4-5-10-17(16)18)24-31-20(14-37-24)23(34)30-19(25(35)36)12-7-13-29-26(27)28/h4-5,8,10,14-15,18-19,21H,3,6-7,9,11-13H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,27,28,29)/t15-,18?,19-,21-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499182
PNG
(CHEMBL3736020)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCc2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H36N6O5/c1-3-15(2)21(32-22(33)18-11-6-9-16-8-4-5-10-17(16)18)24-31-20(14-37-24)23(34)30-19(25(35)36)12-7-13-29-26(27)28/h4-5,8,10,14-15,18-19,21H,3,6-7,9,11-13H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,27,28,29)/t15-,18?,19-,21-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499166
PNG
(CHEMBL3735048)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H31N7O5/c1-3-14(2)20(32-21(33)17-11-10-15-7-4-5-8-16(15)29-17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-12-28-25(26)27/h4-5,7-8,10-11,13-14,18,20H,3,6,9,12H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,20-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499166
PNG
(CHEMBL3735048)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H31N7O5/c1-3-14(2)20(32-21(33)17-11-10-15-7-4-5-8-16(15)29-17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-12-28-25(26)27/h4-5,7-8,10-11,13-14,18,20H,3,6,9,12H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,20-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499176
PNG
(CHEMBL3735554)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H36N6O5/c1-3-18(2)24(35-26(37)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)27-34-22(17-40-27)25(36)33-21(28(38)39)15-10-16-32-29(30)31/h4-9,11-14,17-18,21,23-24H,3,10,15-16H2,1-2H3,(H,33,36)(H,35,37)(H,38,39)(H4,30,31,32)/t18-,21-,24-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499176
PNG
(CHEMBL3735554)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H36N6O5/c1-3-18(2)24(35-26(37)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)27-34-22(17-40-27)25(36)33-21(28(38)39)15-10-16-32-29(30)31/h4-9,11-14,17-18,21,23-24H,3,10,15-16H2,1-2H3,(H,33,36)(H,35,37)(H,38,39)(H4,30,31,32)/t18-,21-,24-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499175
PNG
(CHEMBL3734765)
Show SMILES CC(C)C[C@H](NC(=O)C1c2ccccc2-c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H34N6O5/c1-16(2)14-22(34-26(37)24-19-10-5-3-8-17(19)18-9-4-6-11-20(18)24)27-35-23(15-40-27)25(36)33-21(28(38)39)12-7-13-32-29(30)31/h3-6,8-11,15-16,21-22,24H,7,12-14H2,1-2H3,(H,33,36)(H,34,37)(H,38,39)(H4,30,31,32)/t21-,22-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499175
PNG
(CHEMBL3734765)
Show SMILES CC(C)C[C@H](NC(=O)C1c2ccccc2-c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H34N6O5/c1-16(2)14-22(34-26(37)24-19-10-5-3-8-17(19)18-9-4-6-11-20(18)24)27-35-23(15-40-27)25(36)33-21(28(38)39)12-7-13-32-29(30)31/h3-6,8-11,15-16,21-22,24H,7,12-14H2,1-2H3,(H,33,36)(H,34,37)(H,38,39)(H4,30,31,32)/t21-,22-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499185
PNG
(CHEMBL3736125)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6/c1-3-19(2)27(29-36-24(18-43-29)28(40)35-23(30(41)42)10-7-17-34-31(32)33)37-26(39)16-15-25(38)22-13-11-21(12-14-22)20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19,23,27H,3,7,10,15-17H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,32,33,34)/t19-,23-,27-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499184
PNG
(CHEMBL3735993)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H33N7O5/c1-3-14(2)21(32-20(33)11-15-12-29-17-8-5-4-7-16(15)17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-10-28-25(26)27/h4-5,7-8,12-14,18,21,29H,3,6,9-11H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,21-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499184
PNG
(CHEMBL3735993)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H33N7O5/c1-3-14(2)21(32-20(33)11-15-12-29-17-8-5-4-7-16(15)17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-10-28-25(26)27/h4-5,7-8,12-14,18,21,29H,3,6,9-11H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,21-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499185
PNG
(CHEMBL3736125)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6/c1-3-19(2)27(29-36-24(18-43-29)28(40)35-23(30(41)42)10-7-17-34-31(32)33)37-26(39)16-15-25(38)22-13-11-21(12-14-22)20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19,23,27H,3,7,10,15-17H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,32,33,34)/t19-,23-,27-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499174
PNG
(CHEMBL3735465)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H34N6O6/c1-3-17(2)23(35-25(37)20-13-11-19(12-14-20)24(36)18-8-5-4-6-9-18)27-34-22(16-41-27)26(38)33-21(28(39)40)10-7-15-32-29(30)31/h4-6,8-9,11-14,16-17,21,23H,3,7,10,15H2,1-2H3,(H,33,38)(H,35,37)(H,39,40)(H4,30,31,32)/t17-,21-,23-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499174
PNG
(CHEMBL3735465)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H34N6O6/c1-3-17(2)23(35-25(37)20-13-11-19(12-14-20)24(36)18-8-5-4-6-9-18)27-34-22(16-41-27)26(38)33-21(28(39)40)10-7-15-32-29(30)31/h4-6,8-9,11-14,16-17,21,23H,3,7,10,15H2,1-2H3,(H,33,38)(H,35,37)(H,39,40)(H4,30,31,32)/t17-,21-,23-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499180
PNG
(CHEMBL3735887)
Show SMILES CC(C)C[C@H](NC(=O)C(C)c1ccc(cc1)N1Cc2ccccc2C1=O)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C32H39N7O6/c1-18(2)15-25(29-38-26(17-45-29)28(41)36-24(31(43)44)9-6-14-35-32(33)34)37-27(40)19(3)20-10-12-22(13-11-20)39-16-21-7-4-5-8-23(21)30(39)42/h4-5,7-8,10-13,17-19,24-25H,6,9,14-16H2,1-3H3,(H,36,41)(H,37,40)(H,43,44)(H4,33,34,35)/t19?,24-,25-/m0/s1
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n/an/a 447n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499180
PNG
(CHEMBL3735887)
Show SMILES CC(C)C[C@H](NC(=O)C(C)c1ccc(cc1)N1Cc2ccccc2C1=O)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C32H39N7O6/c1-18(2)15-25(29-38-26(17-45-29)28(41)36-24(31(43)44)9-6-14-35-32(33)34)37-27(40)19(3)20-10-12-22(13-11-20)39-16-21-7-4-5-8-23(21)30(39)42/h4-5,7-8,10-13,17-19,24-25H,6,9,14-16H2,1-3H3,(H,36,41)(H,37,40)(H,43,44)(H4,33,34,35)/t19?,24-,25-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499178
PNG
(CHEMBL3735746)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cccc(OC)c1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)18(30-20(31)14-8-6-10-17(35-3)19(14)36-4)22-29-16(12-37-22)21(32)28-15(23(33)34)9-7-11-27-24(25)26/h6,8,10,12-13,15,18H,5,7,9,11H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,15-,18-/m0/s1
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n/an/a 708n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499178
PNG
(CHEMBL3735746)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cccc(OC)c1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)18(30-20(31)14-8-6-10-17(35-3)19(14)36-4)22-29-16(12-37-22)21(32)28-15(23(33)34)9-7-11-27-24(25)26/h6,8,10,12-13,15,18H,5,7,9,11H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,15-,18-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499181
PNG
(CHEMBL3734832)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1(C=CCC=C1)C(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:9,12|
Show InChI InChI=1S/C25H38N6O5/c1-5-16(4)19(31-23(35)25(15(2)3)11-7-6-8-12-25)21-30-18(14-36-21)20(32)29-17(22(33)34)10-9-13-28-24(26)27/h7-8,11-12,14-17,19H,5-6,9-10,13H2,1-4H3,(H,29,32)(H,31,35)(H,33,34)(H4,26,27,28)/t16-,17-,19-/m0/s1
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n/an/a 754n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499181
PNG
(CHEMBL3734832)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1(C=CCC=C1)C(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:9,12|
Show InChI InChI=1S/C25H38N6O5/c1-5-16(4)19(31-23(35)25(15(2)3)11-7-6-8-12-25)21-30-18(14-36-21)20(32)29-17(22(33)34)10-9-13-28-24(26)27/h7-8,11-12,14-17,19H,5-6,9-10,13H2,1-4H3,(H,29,32)(H,31,35)(H,33,34)(H4,26,27,28)/t16-,17-,19-/m0/s1
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n/an/a 759n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499165
PNG
(CHEMBL3736195)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)N(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H35N7O5/c1-5-14(2)19(30-20(32)15-8-10-16(11-9-15)31(3)4)22-29-18(13-36-22)21(33)28-17(23(34)35)7-6-12-27-24(25)26/h8-11,13-14,17,19H,5-7,12H2,1-4H3,(H,28,33)(H,30,32)(H,34,35)(H4,25,26,27)/t14-,17-,19-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499165
PNG
(CHEMBL3736195)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)N(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H35N7O5/c1-5-14(2)19(30-20(32)15-8-10-16(11-9-15)31(3)4)22-29-18(13-36-22)21(33)28-17(23(34)35)7-6-12-27-24(25)26/h8-11,13-14,17,19H,5-7,12H2,1-4H3,(H,28,33)(H,30,32)(H,34,35)(H4,25,26,27)/t14-,17-,19-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499177
PNG
(CHEMBL3736447)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)19(30-20(31)15-9-8-14(35-3)11-18(15)36-4)22-29-17(12-37-22)21(32)28-16(23(33)34)7-6-10-27-24(25)26/h8-9,11-13,16,19H,5-7,10H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,16-,19-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499177
PNG
(CHEMBL3736447)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)19(30-20(31)15-9-8-14(35-3)11-18(15)36-4)22-29-17(12-37-22)21(32)28-16(23(33)34)7-6-10-27-24(25)26/h8-9,11-13,16,19H,5-7,10H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,16-,19-/m0/s1
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n/an/a 871n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499164
PNG
(CHEMBL3736489)
Show SMILES CC(C)C[C@H](NC(=O)C(C)c1ccc(CC(C)C)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H42N6O5/c1-16(2)13-19-8-10-20(11-9-19)18(5)24(35)33-22(14-17(3)4)26-34-23(15-39-26)25(36)32-21(27(37)38)7-6-12-31-28(29)30/h8-11,15-18,21-22H,6-7,12-14H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)(H4,29,30,31)/t18?,21-,22-/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499164
PNG
(CHEMBL3736489)
Show SMILES CC(C)C[C@H](NC(=O)C(C)c1ccc(CC(C)C)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H42N6O5/c1-16(2)13-19-8-10-20(11-9-19)18(5)24(35)33-22(14-17(3)4)26-34-23(15-39-26)25(36)32-21(27(37)38)7-6-12-31-28(29)30/h8-11,15-18,21-22H,6-7,12-14H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)(H4,29,30,31)/t18?,21-,22-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499167
PNG
(CHEMBL3735614)
Show SMILES NC(=O)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H27N3O5/c23-22(29)24-13-7-12-19(21(27)28)25-20(26)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,25,26)(H,27,28)(H3,23,24,29)/t19-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity against human C3aR expressed in rat RBL-2H3 cells assessed as inhibition of C3a-induced Ca2+ response

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499181
PNG
(CHEMBL3734832)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1(C=CCC=C1)C(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:9,12|
Show InChI InChI=1S/C25H38N6O5/c1-5-16(4)19(31-23(35)25(15(2)3)11-7-6-8-12-25)21-30-18(14-36-21)20(32)29-17(22(33)34)10-9-13-28-24(26)27/h7-8,11-12,14-17,19H,5-6,9-10,13H2,1-4H3,(H,29,32)(H,31,35)(H,33,34)(H4,26,27,28)/t16-,17-,19-/m0/s1
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n/an/an/an/a 741n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499172
PNG
(CHEMBL3736239)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-6-11(2)14(26-19(30)32-20(3,4)5)16-25-13(10-31-16)15(27)24-12(17(28)29)8-7-9-23-18(21)22/h10-12,14H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t11-,12-,14-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499170
PNG
(CHEMBL3736505)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C23H31FN6O5/c1-13(2)10-17(28-19(31)11-14-5-7-15(24)8-6-14)21-30-18(12-35-21)20(32)29-16(22(33)34)4-3-9-27-23(25)26/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)(H4,25,26,27)/t16-,17-/m0/s1
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n/an/an/an/a 525n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499179
PNG
(CHEMBL3736519)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H30N6O5/c1-3-13(2)17(28-18(29)14-8-5-4-6-9-14)20-27-16(12-33-20)19(30)26-15(21(31)32)10-7-11-25-22(23)24/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3,(H,26,30)(H,28,29)(H,31,32)(H4,23,24,25)/t13-,15-,17-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499170
PNG
(CHEMBL3736505)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C23H31FN6O5/c1-13(2)10-17(28-19(31)11-14-5-7-15(24)8-6-14)21-30-18(12-35-21)20(32)29-16(22(33)34)4-3-9-27-23(25)26/h5-8,12-13,16-17H,3-4,9-11H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)(H4,25,26,27)/t16-,17-/m0/s1
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UniChem
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n/an/an/an/a 530n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499173
PNG
(CHEMBL3735240)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(C)c1ccc2cc(OC)ccc2c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H38N6O6/c1-5-16(2)24(35-25(36)17(3)18-8-9-20-14-21(40-4)11-10-19(20)13-18)27-34-23(15-41-27)26(37)33-22(28(38)39)7-6-12-32-29(30)31/h8-11,13-17,22,24H,5-7,12H2,1-4H3,(H,33,37)(H,35,36)(H,38,39)(H4,30,31,32)/t16-,17?,22-,24-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499168
PNG
(CHEMBL3735760)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-11(2)9-13(26-19(30)32-20(3,4)5)16-25-14(10-31-16)15(27)24-12(17(28)29)7-6-8-23-18(21)22/h10-13H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t12-,13-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499184
PNG
(CHEMBL3735993)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H33N7O5/c1-3-14(2)21(32-20(33)11-15-12-29-17-8-5-4-7-16(15)17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-10-28-25(26)27/h4-5,7-8,12-14,18,21,29H,3,6,9-11H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,21-/m0/s1
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n/an/an/an/a 72n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499166
PNG
(CHEMBL3735048)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H31N7O5/c1-3-14(2)20(32-21(33)17-11-10-15-7-4-5-8-16(15)29-17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-12-28-25(26)27/h4-5,7-8,10-11,13-14,18,20H,3,6,9,12H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,20-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499177
PNG
(CHEMBL3736447)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)19(30-20(31)15-9-8-14(35-3)11-18(15)36-4)22-29-17(12-37-22)21(32)28-16(23(33)34)7-6-10-27-24(25)26/h8-9,11-13,16,19H,5-7,10H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,16-,19-/m0/s1
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n/an/an/an/a 851n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50462106
PNG
(CHEMBL3736108)
Show SMILES CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499182
PNG
(CHEMBL3736020)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCc2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H36N6O5/c1-3-15(2)21(32-22(33)18-11-6-9-16-8-4-5-10-17(16)18)24-31-20(14-37-24)23(34)30-19(25(35)36)12-7-13-29-26(27)28/h4-5,8,10,14-15,18-19,21H,3,6-7,9,11-13H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,27,28,29)/t15-,18?,19-,21-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499166
PNG
(CHEMBL3735048)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H31N7O5/c1-3-14(2)20(32-21(33)17-11-10-15-7-4-5-8-16(15)29-17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-12-28-25(26)27/h4-5,7-8,10-11,13-14,18,20H,3,6,9,12H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,20-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499177
PNG
(CHEMBL3736447)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H34N6O7/c1-5-13(2)19(30-20(31)15-9-8-14(35-3)11-18(15)36-4)22-29-17(12-37-22)21(32)28-16(23(33)34)7-6-10-27-24(25)26/h8-9,11-13,16,19H,5-7,10H2,1-4H3,(H,28,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,16-,19-/m0/s1
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n/an/an/an/a 850n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499185
PNG
(CHEMBL3736125)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6/c1-3-19(2)27(29-36-24(18-43-29)28(40)35-23(30(41)42)10-7-17-34-31(32)33)37-26(39)16-15-25(38)22-13-11-21(12-14-22)20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19,23,27H,3,7,10,15-17H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,32,33,34)/t19-,23-,27-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499168
PNG
(CHEMBL3735760)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-11(2)9-13(26-19(30)32-20(3,4)5)16-25-14(10-31-16)15(27)24-12(17(28)29)7-6-8-23-18(21)22/h10-13H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t12-,13-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499169
PNG
(CHEMBL3735507)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C21H28BrN7O5/c1-3-11(2)16(29-17(30)12-7-13(22)9-25-8-12)19-28-15(10-34-19)18(31)27-14(20(32)33)5-4-6-26-21(23)24/h7-11,14,16H,3-6H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H4,23,24,26)/t11-,14-,16-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499169
PNG
(CHEMBL3735507)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C21H28BrN7O5/c1-3-11(2)16(29-17(30)12-7-13(22)9-25-8-12)19-28-15(10-34-19)18(31)27-14(20(32)33)5-4-6-26-21(23)24/h7-11,14,16H,3-6H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H4,23,24,26)/t11-,14-,16-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499172
PNG
(CHEMBL3736239)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C20H34N6O6/c1-6-11(2)14(26-19(30)32-20(3,4)5)16-25-13(10-31-16)15(27)24-12(17(28)29)8-7-9-23-18(21)22/h10-12,14H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t11-,12-,14-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499181
PNG
(CHEMBL3734832)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1(C=CCC=C1)C(C)C)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,c:9,12|
Show InChI InChI=1S/C25H38N6O5/c1-5-16(4)19(31-23(35)25(15(2)3)11-7-6-8-12-25)21-30-18(14-36-21)20(32)29-17(22(33)34)10-9-13-28-24(26)27/h7-8,11-12,14-17,19H,5-6,9-10,13H2,1-4H3,(H,29,32)(H,31,35)(H,33,34)(H4,26,27,28)/t16-,17-,19-/m0/s1
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n/an/an/an/a 740n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499171
PNG
(CHEMBL3735339)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c(C)o1 |r|
Show InChI InChI=1S/C21H36N6O6/c1-11(2)10-14(26-20(31)33-21(4,5)6)17-27-15(12(3)32-17)16(28)25-13(18(29)30)8-7-9-24-19(22)23/h11,13-14H,7-10H2,1-6H3,(H,25,28)(H,26,31)(H,29,30)(H4,22,23,24)/t13-,14-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499176
PNG
(CHEMBL3735554)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H36N6O5/c1-3-18(2)24(35-26(37)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)27-34-22(17-40-27)25(36)33-21(28(38)39)15-10-16-32-29(30)31/h4-9,11-14,17-18,21,23-24H,3,10,15-16H2,1-2H3,(H,33,36)(H,35,37)(H,38,39)(H4,30,31,32)/t18-,21-,24-/m0/s1
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n/an/an/an/a 5.62E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499179
PNG
(CHEMBL3736519)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H30N6O5/c1-3-13(2)17(28-18(29)14-8-5-4-6-9-14)20-27-16(12-33-20)19(30)26-15(21(31)32)10-7-11-25-22(23)24/h4-6,8-9,12-13,15,17H,3,7,10-11H2,1-2H3,(H,26,30)(H,28,29)(H,31,32)(H4,23,24,25)/t13-,15-,17-/m0/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50462106
PNG
(CHEMBL3736108)
Show SMILES CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499173
PNG
(CHEMBL3735240)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(C)c1ccc2cc(OC)ccc2c1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H38N6O6/c1-5-16(2)24(35-25(36)17(3)18-8-9-20-14-21(40-4)11-10-19(20)13-18)27-34-23(15-41-27)26(37)33-22(28(38)39)7-6-12-32-29(30)31/h8-11,13-17,22,24H,5-7,12H2,1-4H3,(H,33,37)(H,35,36)(H,38,39)(H4,30,31,32)/t16-,17?,22-,24-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499176
PNG
(CHEMBL3735554)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C29H36N6O5/c1-3-18(2)24(35-26(37)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)27-34-22(17-40-27)25(36)33-21(28(38)39)15-10-16-32-29(30)31/h4-9,11-14,17-18,21,23-24H,3,10,15-16H2,1-2H3,(H,33,36)(H,35,37)(H,38,39)(H4,30,31,32)/t18-,21-,24-/m0/s1
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n/an/an/an/a 5.60E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499183
PNG
(CHEMBL3735764)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H34N6O6/c1-3-17(2)23(34-24(35)19-12-7-8-14-22(19)40-18-10-5-4-6-11-18)26-33-21(16-39-26)25(36)32-20(27(37)38)13-9-15-31-28(29)30/h4-8,10-12,14,16-17,20,23H,3,9,13,15H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H4,29,30,31)/t17-,20-,23-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499184
PNG
(CHEMBL3735993)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C25H33N7O5/c1-3-14(2)21(32-20(33)11-15-12-29-17-8-5-4-7-16(15)17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-10-28-25(26)27/h4-5,7-8,12-14,18,21,29H,3,6,9-11H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,21-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50322649
PNG
((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C34H57N9O8/c1-18(2)15-25(30(47)39-20(5)28(45)40-24(33(50)51)13-10-14-38-34(36)37)42-32(49)27(21(6)44)43-31(48)26(16-19(3)4)41-29(46)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,44H,10,13-17,35H2,1-6H3,(H,39,47)(H,40,45)(H,41,46)(H,42,49)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as Ca2+ response

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499185
PNG
(CHEMBL3736125)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6/c1-3-19(2)27(29-36-24(18-43-29)28(40)35-23(30(41)42)10-7-17-34-31(32)33)37-26(39)16-15-25(38)22-13-11-21(12-14-22)20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19,23,27H,3,7,10,15-17H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,32,33,34)/t19-,23-,27-/m0/s1
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n/an/an/an/a 7.60n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499183
PNG
(CHEMBL3735764)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H34N6O6/c1-3-17(2)23(34-24(35)19-12-7-8-14-22(19)40-18-10-5-4-6-11-18)26-33-21(16-39-26)25(36)32-20(27(37)38)13-9-15-31-28(29)30/h4-8,10-12,14,16-17,20,23H,3,9,13,15H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H4,29,30,31)/t17-,20-,23-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50499182
PNG
(CHEMBL3736020)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCc2ccccc12)c1nc(co1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H36N6O5/c1-3-15(2)21(32-22(33)18-11-6-9-16-8-4-5-10-17(16)18)24-31-20(14-37-24)23(34)30-19(25(35)36)12-7-13-29-26(27)28/h4-5,8,10,14-15,18-19,21H,3,6-7,9,11-13H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,27,28,29)/t15-,18?,19-,21-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay

Bioorg Med Chem Lett 25: 5604-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.038
BindingDB Entry DOI: 10.7270/Q2Q2437Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%