Found 3 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50322620' 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)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C57H88N14O13S/c1-33(2)29-42(49(76)63-34(3)47(74)66-41(56(83)84)16-10-25-62-57(60)61)68-53(80)46-18-12-27-71(46)55(82)40(23-28-85-4)65-52(79)45-17-11-26-70(45)54(81)39(15-8-9-24-58)64-50(77)43(31-35-13-6-5-7-14-35)67-51(78)44(32-72)69-48(75)38(59)30-36-19-21-37(73)22-20-36/h5-7,13-14,19-22,33-34,38-46,72-73H,8-12,15-18,23-32,58-59H2,1-4H3,(H,63,76)(H,64,77)(H,65,79)(H,66,74)(H,67,78)(H,68,80)(H,69,75)(H,83,84)(H4,60,61,62)/t34-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | 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 C3a receptor in human PBMC by scintillation counting |
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)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C57H88N14O13S/c1-33(2)29-42(49(76)63-34(3)47(74)66-41(56(83)84)16-10-25-62-57(60)61)68-53(80)46-18-12-27-71(46)55(82)40(23-28-85-4)65-52(79)45-17-11-26-70(45)54(81)39(15-8-9-24-58)64-50(77)43(31-35-13-6-5-7-14-35)67-51(78)44(32-72)69-48(75)38(59)30-36-19-21-37(73)22-20-36/h5-7,13-14,19-22,33-34,38-46,72-73H,8-12,15-18,23-32,58-59H2,1-4H3,(H,63,76)(H,64,77)(H,65,79)(H,66,74)(H,67,78)(H,68,80)(H,69,75)(H,83,84)(H4,60,61,62)/t34-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | 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 C3a receptor in human PBMC by scintillation counting |
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)) | BDBM50322620
((S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-am...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C57H88N14O13S/c1-33(2)29-42(49(76)63-34(3)47(74)66-41(56(83)84)16-10-25-62-57(60)61)68-53(80)46-18-12-27-71(46)55(82)40(23-28-85-4)65-52(79)45-17-11-26-70(45)54(81)39(15-8-9-24-58)64-50(77)43(31-35-13-6-5-7-14-35)67-51(78)44(32-72)69-48(75)38(59)30-36-19-21-37(73)22-20-36/h5-7,13-14,19-22,33-34,38-46,72-73H,8-12,15-18,23-32,58-59H2,1-4H3,(H,63,76)(H,64,77)(H,65,79)(H,66,74)(H,67,78)(H,68,80)(H,69,75)(H,83,84)(H4,60,61,62)/t34-,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/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 | 220 | 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 | |