Reaction Details Report a problem with these data
Target
Pituitary adenylate cyclase-activating polypeptide type I receptor
Ligand
BDBM50596676
Substrate
n/a
Meas. Tech.
ChEMBL_2221684 (CHEMBL5135018)
IC50
0.110000±n/a nM
Citation
 Takasaki, I; Watanabe, A; Okada, T; Kanayama, D; Nagashima, R; Shudo, M; Shimodaira, A; Nunomura, K; Lin, B; Watanabe, Y; Gouda, H; Miyata, A; Kurihara, T; Toyooka, N Design and synthesis of pyrido[2,3-d]pyrimidine derivatives for a novel PAC1 receptor antagonist. Eur J Med Chem 231:0 (2022) [PubMed] 
Target
Name:
Pituitary adenylate cyclase-activating polypeptide type I receptor
Synonyms:
ADCYAP1R1 | PACR_HUMAN
Type:
PROTEIN
Mol. Mass.:
53307.50
Organism:
Homo sapiens (Human)
Description:
ChEMBL_498617
Residue:
468
Sequence:
MAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDNITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTEDGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRKLHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSNYFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMNDSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIPLFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKVNRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT
  
Inhibitor
Name:
BDBM50596676
Synonyms:
CHEMBL5203375
Type:
Small organic molecule
Emp. Form.:
C14H11F3N4O3
Mol. Mass.:
340.2573
SMILES:
Nc1nc2NC(=O)CC(c3cccc(OC(F)(F)F)c3)c2c(=O)[nH]1
Structure:
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