Found 370 hits with Last Name = 'yau' and Initial = 'mk' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50440869
(CHEMBL2431727)Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-furoyl-LIGRL-NH2 from human PAR2 expressed in human NCTC-2544 cells by scintillation counting analysis |
J Med Chem 56: 7477-97 (2013)
Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520310
(CHEMBL4470864)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520310
(CHEMBL4470864)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520316
(CHEMBL4445758)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-11-20(21(15-5-2-7-17(26)12-15)16-6-3-8-18(27)13-16)35-22(14)23(32)31-19(24(33)34)9-4-10-30-25(28)29/h2-3,5-8,11-13,19,21H,4,9-10H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520316
(CHEMBL4445758)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-11-20(21(15-5-2-7-17(26)12-15)16-6-3-8-18(27)13-16)35-22(14)23(32)31-19(24(33)34)9-4-10-30-25(28)29/h2-3,5-8,11-13,19,21H,4,9-10H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520309
(CHEMBL4576800)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520305
(CHEMBL4559976)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(C1CCCCC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H32N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,13-14,17-18,21H,2,5-7,10-12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-,21?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520309
(CHEMBL4576800)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520305
(CHEMBL4559976)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(C1CCCCC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H32N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,13-14,17-18,21H,2,5-7,10-12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-,21?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50499169
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50520303
(CHEMBL4459830)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1cccc(Cl)c1)c1cccc(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C24H24Cl2N4O3S/c25-16-6-1-4-14(12-16)21(15-5-2-7-17(26)13-15)19-9-10-20(34-19)22(31)30-18(23(32)33)8-3-11-29-24(27)28/h1-2,4-7,9-10,12-13,18,21H,3,8,11H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028695
(CHEMBL3342688)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1c[nH]c(n1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H26N6O3/c24-23(25)26-13-7-12-17(22(31)32)29-21(30)18-14-27-20(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,28)(H,29,30)(H,31,32)(H4,24,25,26)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520303
(CHEMBL4459830)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1cccc(Cl)c1)c1cccc(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C24H24Cl2N4O3S/c25-16-6-1-4-14(12-16)21(15-5-2-7-17(26)13-15)19-9-10-20(34-19)22(31)30-18(23(32)33)8-3-11-29-24(27)28/h1-2,4-7,9-10,12-13,18,21H,3,8,11H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028695
(CHEMBL3342688)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1c[nH]c(n1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H26N6O3/c24-23(25)26-13-7-12-17(22(31)32)29-21(30)18-14-27-20(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,28)(H,29,30)(H,31,32)(H4,24,25,26)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520310
(CHEMBL4470864)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520310
(CHEMBL4470864)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520304
(CHEMBL4459627)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
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UniChem
| Article
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028698
(CHEMBL3342676)Show SMILES NC(=N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)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,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520304
(CHEMBL4459627)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028698
(CHEMBL3342676)Show SMILES NC(=N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)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,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50462106
(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 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50520304
(CHEMBL4459627)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028696
(CHEMBL3342689)Show SMILES Cc1[nH]c(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520304
(CHEMBL4459627)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50499167
(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 | PDB
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50322650
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)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,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028781
(CHEMBL3342686)Show SMILES Cc1oc(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O4/c1-15-20(21(30)28-18(23(31)32)13-8-14-27-24(25)26)29-22(33-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,31,32)(H4,25,26,27)/t18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50322650
((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)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,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028696
(CHEMBL3342689)Show SMILES Cc1[nH]c(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028781
(CHEMBL3342686)Show SMILES Cc1oc(nc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O4/c1-15-20(21(30)28-18(23(31)32)13-8-14-27-24(25)26)29-22(33-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,31,32)(H4,25,26,27)/t18-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028702
(CHEMBL3342680)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1nc(no1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)20-27-18(28-32-20)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028702
(CHEMBL3342680)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1nc(no1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H24N6O4/c23-22(24)25-13-7-12-16(21(30)31)26-19(29)20-27-18(28-32-20)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t16-/m0/s1 | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50241049
(CHEMBL463763 | Triptolide, 1 | triptolide)Show SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O |r,c:17| Show InChI InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR2 expressed in human A549 cells assessed as inhibition of 2f-LIGRLO-NH2-induced NFkappaB activation by luciferase rep... |
J Med Chem 56: 7477-97 (2013)
Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50499171
(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 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50028780
(CHEMBL3342685)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1coc(n1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H25N5O4/c24-23(25)26-13-7-12-17(22(30)31)27-20(29)18-14-32-21(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,29)(H,30,31)(H4,24,25,26)/t17-/m0/s1 | PDB
Reactome pathway
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PC sid
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50499168
(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 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50028780
(CHEMBL3342685)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1coc(n1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H25N5O4/c24-23(25)26-13-7-12-17(22(30)31)27-20(29)18-14-32-21(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,29)(H,30,31)(H4,24,25,26)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50241049
(CHEMBL463763 | Triptolide, 1 | triptolide)Show SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O |r,c:17| Show InChI InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 | PDB
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PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR2 expressed in human A549 cells coexpressing TACR1 assessed as inhibition of substance P-induced IL-8 production by E... |
J Med Chem 56: 7477-97 (2013)
Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50499179
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
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AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
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| KEGG
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50520301
(CHEMBL4558167)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24Cl2N4O3S/c25-16-7-3-14(4-8-16)21(15-5-9-17(26)10-6-15)19-11-12-20(34-19)22(31)30-18(23(32)33)2-1-13-29-24(27)28/h3-12,18,21H,1-2,13H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m0/s1 | PDB
Reactome pathway
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AffyNet
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028697
(CHEMBL3342690)Show SMILES Cc1c(nc(C(c2ccccc2)c2ccccc2)n1C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C25H30N6O3/c1-16-21(23(32)29-19(24(33)34)14-9-15-28-25(26)27)30-22(31(16)2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-15H2,1-2H3,(H,29,32)(H,33,34)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520301
(CHEMBL4558167)Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24Cl2N4O3S/c25-16-7-3-14(4-8-16)21(15-5-9-17(26)10-6-15)19-11-12-20(34-19)22(31)30-18(23(32)33)2-1-13-29-24(27)28/h3-12,18,21H,1-2,13H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50520321
(CHEMBL4473192)Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H26F2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f... |
J Med Chem 63: 529-541 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00927
BindingDB Entry DOI: 10.7270/Q2377D3X |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50028697
(CHEMBL3342690)Show SMILES Cc1c(nc(C(c2ccccc2)c2ccccc2)n1C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C25H30N6O3/c1-16-21(23(32)29-19(24(33)34)14-9-15-28-25(26)27)30-22(31(16)2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-15H2,1-2H3,(H,29,32)(H,33,34)(H4,26,27,28)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method |
J Med Chem 57: 8459-70 (2014)
Article DOI: 10.1021/jm500956p
BindingDB Entry DOI: 10.7270/Q21R6S3N |
More data for this
Ligand-Target Pair | |
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