Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2B
Ligand
BDBM50170191
Substrate
n/a
Meas. Tech.
ChEMBL_594564 (CHEMBL1037059)
IC50
9.66±n/a nM
Citation
 Semple, G; Tran, TA; Kramer, B; Hsu, D; Han, S; Choi, J; Vallar, P; Casper, MD; Zou, N; Hauser, EK; Thomsen, W; Whelan, K; Sengupta, D; Morgan, M; Sekiguchi, Y; Kanuma, K; Chaki, S; Grottick, AJ Pyrimidine-based antagonists of h-MCH-R1 derived from ATC0175: in vitro profiling and in vivo evaluation. Bioorg Med Chem Lett 19:6166-71 (2009) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 2B
Synonyms:
5-HT-2B | 5-HT2B | 5-hydroxytryptamine (serotonin) receptor 2B [Homo sapiens] | 5-hydroxytryptamine receptor 2B (5-HT2B) | 5-hydroxytryptamine receptor 2C (5HT2C) | 5HT2B_HUMAN | HTR2B | Serotonin (5-HT3) receptor | Serotonin 2b (5-HT2b) receptor | Serotonin Receptor 2B
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
54312.47
Organism:
Homo sapiens (Human)
Description:
Receptor binding assays were performed using human clone stably expressed in CHO cells.
Residue:
481
Sequence:
MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
  
Inhibitor
Name:
BDBM50170191
Synonyms:
CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinazolin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide | N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3,4-difluoro-benzamide
Type:
Small organic molecule
Emp. Form.:
C23H25F2N5O
Mol. Mass.:
425.4743
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Structure:
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