Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50472896

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48108 (CHEMBL663095)

2.1±n/a nM

Citation

Ursini, A; Capelli, AM; Carr, RA; Cassar�, P; Corsi, M; Curcuruto, O; Curotto, G; Dal Cin, M; Davalli, S; Donati, D; Feriani, A; Finch, H; Finizia, G; Gaviraghi, G; Marien, M; Pentassuglia, G; Polinelli, S; Ratti, E; Reggiani, AM; Tarzia, G; Tedesco, G; Tranquillini, ME; Trist, DG; Van Amsterdam, FT; Reggiani, A Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists. J Med Chem43:3596-613 (2000) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Gastrin/cholecystokinin type B receptor

Name:

Gastrin/cholecystokinin type B receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

48445.79

Organism:

Homo sapiens (Human)

Description:

Stable expression of human CCK-2 receptors in HEK 293 cells.

Residue:

447

Sequence:

MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITL
YAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTF
IFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWL
LSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGL
ISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRS
RPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDG
PGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRAL
PDEDPPTPSIASLSRLSYTTISTLGPG

BDBM50472896

n/a

Name

BDBM50472896

Synonyms:

CHEMBL331688

Type

Small organic molecule

Emp. Form.

C33H32N8O3

Mol. Mass.

588.659

SMILES

[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(N1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(c4)C4N=NN=N4)C1=O)[C@@]([H])(C2)C3 |wU:6.6,1.0,wD:3.3,44.50,c:42,44,TLB:5:3:46:9.6.8,THB:10:9:1.46.8:3.47.5,10:9:46:3.47.2,5:6:46:3.47.2,2:3:9:1.46.8,2:1:9:3.47.5,(9.17,-.22,;9.53,-1.7,;11.02,-1.89,;11.4,-3.35,;12.91,-3.48,;10.74,-4.84,;9.27,-4.66,;10.01,-5.87,;8.83,-3.13,;7.93,-5.46,;8.37,-6.92,;7.4,-7.84,;6.06,-7.08,;4.72,-7.84,;4.72,-9.4,;6.06,-10.17,;7.4,-9.4,;8.34,-10.33,;7.88,-11.79,;6.38,-12.11,;5.9,-13.6,;6.95,-14.72,;8.47,-14.39,;8.93,-12.93,;9.84,-10.07,;10.76,-11.32,;10.57,-8.64,;12.11,-8.67,;12.86,-10.03,;12.07,-11.35,;14.4,-10.04,;15.16,-11.4,;14.37,-12.72,;15.1,-14.05,;16.66,-14.09,;17.45,-12.75,;16.7,-11.41,;18.98,-12.78,;19.87,-14.02,;21.31,-13.57,;21.35,-12.04,;19.9,-11.54,;9.88,-7.18,;8.9,-8.51,;8.76,-3.93,;7.24,-3.74,;8.35,-2.49,;10.14,-4.05,)|

Structure