BDBM50322648 (2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-amino-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-8-isobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid::CHEMBL1170637
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI Key: InChIKey=YJWUOTMTCJYVDZ-CXTJZSRYSA-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)) | BDBM50322648 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 81 | 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)) | BDBM50322648 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 81 | 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)) | BDBM50322648 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) | 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 | 370 | 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 |