Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50051416
Substrate
n/a
Meas. Tech.
ChEMBL_63874 (CHEMBL671336)
IC50
2.5±n/a nM
Citation
 Fukami, T; Yamakawa, T; Niiyama, K; Kojima, H; Amano, Y; Kanda, F; Ozaki, S; Fukuroda, T; Ihara, M; Yano, M; Ishikawa, K Synthesis and structure-activity relationships of 2-substituted D-tryptophan-containing peptidic endothelin receptor antagonists: importance of the C-2 substituent of the D-tryptophan residue for endothelin A and B receptor subtype selectivity. J Med Chem 39:2313-30 (1996) [PubMed]  Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB | EDNRB_PIG | Endothelin receptor ET-B
Type:
PROTEIN
Mol. Mass.:
49616.89
Organism:
Sus scrofa
Description:
ChEMBL_63872
Residue:
443
Sequence:
MQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50051416
Synonyms:
2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-hexanoic acid | CHEMBL424422
Type:
Small organic molecule
Emp. Form.:
C31H46BrN5O5
Mol. Mass.:
648.631
SMILES:
CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Structure:
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