Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50368772
Substrate
n/a
Meas. Tech.
ChEMBL_63515 (CHEMBL677265)
IC50
0.25±n/a nM
Citation
 Kikuchi, T; Kubo, K; Ohtaki, T; Suzuki, N; Asami, T; Shimamoto, N; Wakimasu, M; Fujino, M Endothelin-1 analogues substituted at both position 18 and 19: highly potent endothelin antagonists with no selectivity for either receptor subtype ETA or ETB. J Med Chem 36:4087-93 (1994) [PubMed]  Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB | EDNRB_BOVIN | Endothelin receptor ET-B
Type:
PROTEIN
Mol. Mass.:
49389.50
Organism:
Bos taurus
Description:
ChEMBL_63513
Residue:
441
Sequence:
MQPLPSLCGRALVALILACGVAGIQAEEREFPPAGATQPLPGTGEMMETPTETSWPGRSNASDPRSSATPQIPRGGRMAGIPPRTPPPCDGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINTYKLLAKDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAVGFDIITSDHIGNKLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITALFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQHDPRRCEFLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50368772
Synonyms:
CHEMBL2373291
Type:
Small organic molecule
Emp. Form.:
C112H165N25O31S5
Mol. Mass.:
2517.982
SMILES:
[H][C@@]12CSSC[C@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N2)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
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