BDBM50000565 (S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-((S)-1-{(S)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid::3-{2-[2-Amino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid::CHEMBL34540
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
InChI Key: InChIKey=NTSBFTNRWQVBCA-IVGDYKFASA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EDNRB (RAT) | BDBM50000565 ((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum | Bioorg Med Chem Lett 5: 967-972 (1995) Article DOI: 10.1016/0960-894X(95)00152-J BindingDB Entry DOI: 10.7270/Q2MG7PZH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50000565 ((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle. | J Med Chem 35: 1493-508 (1992) BindingDB Entry DOI: 10.7270/Q27M08KX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50000565 ((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells | Bioorg Med Chem Lett 5: 967-972 (1995) Article DOI: 10.1016/0960-894X(95)00152-J BindingDB Entry DOI: 10.7270/Q2MG7PZH | |||||||||||
More data for this Ligand-Target Pair |