Found 2 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50322645' 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 |
|---|
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50322645
((2S,5S,8S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-a...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.41,26.28,wD:4.4,43.45,12.24,(13.81,-10.29,;13.81,-8.75,;15.15,-7.98,;12.48,-7.98,;12.48,-6.44,;11.15,-5.67,;9.81,-6.45,;9.81,-7.99,;8.48,-5.68,;7.15,-6.45,;5.81,-5.68,;5.81,-4.14,;4.48,-6.45,;4.48,-7.99,;5.77,-8.83,;7.21,-8.28,;8.17,-9.47,;7.34,-10.77,;7.74,-12.26,;6.65,-13.35,;5.16,-12.95,;4.76,-11.46,;5.85,-10.37,;3.15,-5.68,;1.81,-6.45,;1.81,-7.99,;.48,-5.68,;-.85,-6.44,;.48,-4.14,;1.81,-3.37,;3.15,-4.14,;4.48,-3.37,;4.48,-1.83,;3.15,-1.06,;1.81,-1.83,;13.81,-5.67,;13.81,-4.13,;15.15,-6.44,;16.48,-5.68,;16.48,-4.14,;17.82,-6.45,;17.82,-7.99,;19.15,-5.67,;20.48,-6.44,;20.48,-7.98,;21.82,-8.75,;21.82,-10.29,;23.15,-11.06,;23.15,-12.6,;24.48,-13.38,;21.82,-13.38,;21.82,-5.67,;23.15,-6.44,;21.82,-4.13,)| Show InChI InChI=1S/C37H52N10O7/c1-21(2)16-29(35(52)44-22(3)32(49)46-28(36(53)54)14-9-15-41-37(39)40)45-31(48)20-43-34(51)30(18-24-19-42-27-13-8-7-12-25(24)27)47-33(50)26(38)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-30,42H,9,14-18,20,38H2,1-3H3,(H,43,51)(H,44,52)(H,45,48)(H,46,49)(H,47,50)(H,53,54)(H4,39,40,41)/t22-,26-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization |
J Med Chem 53: 4938-48 (2010)
Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F |
More data for this
Ligand-Target Pair | |
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50322645
((2S,5S,8S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-a...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.41,26.28,wD:4.4,43.45,12.24,(13.81,-10.29,;13.81,-8.75,;15.15,-7.98,;12.48,-7.98,;12.48,-6.44,;11.15,-5.67,;9.81,-6.45,;9.81,-7.99,;8.48,-5.68,;7.15,-6.45,;5.81,-5.68,;5.81,-4.14,;4.48,-6.45,;4.48,-7.99,;5.77,-8.83,;7.21,-8.28,;8.17,-9.47,;7.34,-10.77,;7.74,-12.26,;6.65,-13.35,;5.16,-12.95,;4.76,-11.46,;5.85,-10.37,;3.15,-5.68,;1.81,-6.45,;1.81,-7.99,;.48,-5.68,;-.85,-6.44,;.48,-4.14,;1.81,-3.37,;3.15,-4.14,;4.48,-3.37,;4.48,-1.83,;3.15,-1.06,;1.81,-1.83,;13.81,-5.67,;13.81,-4.13,;15.15,-6.44,;16.48,-5.68,;16.48,-4.14,;17.82,-6.45,;17.82,-7.99,;19.15,-5.67,;20.48,-6.44,;20.48,-7.98,;21.82,-8.75,;21.82,-10.29,;23.15,-11.06,;23.15,-12.6,;24.48,-13.38,;21.82,-13.38,;21.82,-5.67,;23.15,-6.44,;21.82,-4.13,)| Show InChI InChI=1S/C37H52N10O7/c1-21(2)16-29(35(52)44-22(3)32(49)46-28(36(53)54)14-9-15-41-37(39)40)45-31(48)20-43-34(51)30(18-24-19-42-27-13-8-7-12-25(24)27)47-33(50)26(38)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-30,42H,9,14-18,20,38H2,1-3H3,(H,43,51)(H,44,52)(H,45,48)(H,46,49)(H,47,50)(H,53,54)(H4,39,40,41)/t22-,26-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release |
J Med Chem 53: 4938-48 (2010)
Article DOI: 10.1021/jm1003705
BindingDB Entry DOI: 10.7270/Q2QR4X9F |
More data for this
Ligand-Target Pair | |
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