Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50071433
Substrate
n/a
Meas. Tech.
ChEMBL_1928604 (CHEMBL4431780)
IC50
1.3±n/a nM
Citation
 Aubert, JD; Juillerat-Jeanneret, L Endothelin-Receptor Antagonists beyond Pulmonary Arterial Hypertension: Cancer and Fibrosis. J Med Chem 59:8168-88 (2016) [PubMed]  Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB | EDNRB_HUMAN | ENDOTHELIN B | ET-B | ETRB | Endothelin receptor ET-B | Endothelin receptor non-selective type | Endothelin receptor, ET-A/ET-B
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49664.00
Organism:
Homo sapiens (Human)
Description:
ENDOTHELIN B EDNRB HUMAN::P24530
Residue:
442
Sequence:
MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50071433
Synonyms:
(S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoyl)-methyl-amino]-propionylamino}-3-(1H-indol-3-yl)-propionic acid | CHEMBL72410
Type:
Small organic molecule
Emp. Form.:
C36H35N3O4
Mol. Mass.:
573.6808
SMILES:
CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1
Structure:
Search PDB for entries with ligand similarity: