BDBM50322649 (2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-8,14-diisobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid::CHEMBL1170638
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
InChI Key: InChIKey=OBDAANRZAJHREA-XCPBJYSRSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human)) | BDBM50322649 ((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | 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)) | BDBM50322649 ((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/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)) | BDBM50322649 ((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | 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)) | BDBM50322649 ((2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinoprop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 320 | 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 |