Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50050054
Substrate
n/a
Meas. Tech.
ChEMBL_63697 (CHEMBL670653)
IC50
>100000±n/a nM
Citation
von Geldern, TW; Hoffman, DJ; Kester, JA; Nellans, HN; Dayton, BD; Calzadilla, SV; Marsh, KC; Hernandez, L; Chiou, W; Dixon, DB; Wu-Wong, JR; Opgenorth, TJ Azole endothelin antagonists. 3. Using delta log P as a tool to improve absorption. J Med Chem 39:982-91 (1996) [PubMed] Article
More Info.:
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:
BDBM50050054
Synonyms:
2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl-pentanoylamino)-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid | CHEMBL177839
Type:
Small organic molecule
Emp. Form.:
C30H40N4O5
Mol. Mass.:
536.6624
SMILES:
CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1