BDBM50051431 2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-3-(1H-imidazol-4-yl)-propionic acid::CHEMBL311134
SMILES: C[C@H]1CCC[C@@H](C)N1C(=O)NC(C1CC1)C(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)NC(Cc1cnc[nH]1)C(O)=O
InChI Key: InChIKey=DMUAWZXRYTUAPH-AOQHXWKCSA-N
Data: 2 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 receptor ET-A (Sus scrofa) | BDBM50051431 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes. | J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor ET-B (Sus scrofa) | BDBM50051431 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Binding affinity towards endothelin B receptor in porcine cerebellum membranes | J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G | |||||||||||
More data for this Ligand-Target Pair |