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BDBM50322618 (3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-(methylthio)butanoyl)pyrrolidine-2-carbonyl)-14-imino-3-isobutyl-6-methyl-4,7-dioxo-2,5,8,13-tetraazatetradecane-9-carboxylic acid::CHEMBL1170026
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])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
InChI Key: InChIKey=KHIZCRHIQGTPIA-RUFGCVQFSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human)) | BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Displacement of [125I-C5a] from C5a 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)) | BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | 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)) | BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 130 | 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 | |||||||||||||
| C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human)) | BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Displacement of [125I-C5a] from C5a 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)) | BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 130 | 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 | |||||||||||||
