BDBM50001221 3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylamino)-4-methyl-pentanoylamino]-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid::CHEMBL315047
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
InChI Key: InChIKey=JSGRPPGXQMIRRM-MKZJQENTSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells | J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (RAT) | BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Effective concentration against Endothelin B receptor from rat cerebellum | J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor (RAT) | BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) | MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity against Endothelin receptor from rat heart ventricle | J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells | J Med Chem 35: 3301-3 (1992) BindingDB Entry DOI: 10.7270/Q21C1XGJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (RAT) | BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes | J Med Chem 35: 3301-3 (1992) BindingDB Entry DOI: 10.7270/Q21C1XGJ | |||||||||||
More data for this Ligand-Target Pair |