Reaction Details |
| Report a problem with these data |
Target | P2X purinoceptor 1 |
---|
Ligand | BDBM50445214 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1284760 (CHEMBL3107657) |
---|
IC50 | 1600±n/a nM |
---|
Citation | Qiao, JX; Wang, TC; Ruel, R; Thibeault, C; L'Heureux, A; Schumacher, WA; Spronk, SA; Hiebert, S; Bouthillier, G; Lloyd, J; Pi, Z; Schnur, DM; Abell, LM; Hua, J; Price, LA; Liu, E; Wu, Q; Steinbacher, TE; Bostwick, JS; Chang, M; Zheng, J; Gao, Q; Ma, B; McDonnell, PA; Huang, CS; Rehfuss, R; Wexler, RR; Lam, PY Conformationally constrained ortho-anilino diaryl ureas: discovery of 1-(2-(1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea, a potent, selective, and bioavailable P2Y1 antagonist. J Med Chem56:9275-95 (2013) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
P2X purinoceptor 1 |
---|
Name: | P2X purinoceptor 1 |
Synonyms: | ATP receptor | P2RX1 | P2RX1_HUMAN | P2X1 | Purinergic receptor | Purinergic, P2X |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 44992.65 |
Organism: | Homo sapiens (Human) |
Description: | Purinergic, P2X 0 HUMAN::P51575 |
Residue: | 399 |
Sequence: | MARRFQEELAAFLFEYDTPRMVLVRNKKVGVIFRLIQLVVLVYVIGWVFLYEKGYQTSSG
LISSVSVKLKGLAVTQLPGLGPQVWDVADYVFPAQGDNSFVVMTNFIVTPKQTQGYCAEH
PEGGICKEDSGCTPGKAKRKAQGIRTGKCVAFNDTVKTCEIFGWCPVEVDDDIPRPALLR
EAENFTLFIKNSISFPRFKVNRRNLVEEVNAAHMKTCLFHKTLHPLCPVFQLGYVVQESG
QNFSTLAEKGGVVGITIDWHCDLDWHVRHCRPIYEFHGLYEEKNLSPGFNFRFARHFVEN
GTNYRHLFKVFGIRFDILVDGKAGKFDIIPTMTTIGSGIGIFGVATVLCDLLLLHILPKR
HYYKQKKFKYAEDMGPGAAERDLAATSSTLGLQENMRTS
|
|
|
BDBM50445214 |
---|
n/a |
---|
Name | BDBM50445214 |
Synonyms: | CHEMBL3104636 |
Type | Small organic molecule |
Emp. Form. | C31H35F3N4O2 |
Mol. Mass. | 552.6304 |
SMILES | CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 |
Structure |
|