Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50045800

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48611 (CHEMBL659592)

40±n/a nM

Citation

Blommaert, AG; Weng, JH; Dorville, A; McCort, I; Ducos, B; Durieux, C; Roques, BP Cholecystokinin peptidomimetics as selective CCK-B antagonists: design, synthesis, and in vitro and in vivo biochemical properties. J Med Chem36:2868-77 (1993) [PubMed]

More Info.:

Get all data from this article, Assay Method

Gastrin/cholecystokinin type B receptor

Name:

Gastrin/cholecystokinin type B receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

48980.43

Organism:

RAT

Description:

Cholecystokinin A CCKBR RAT::P30553

Residue:

452

Sequence:

MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITL
YAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTF
IFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWL
LSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGL
ISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCV
QLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTW
RAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRA
RPQPLPDEDPPTPSIASLSRLSYTTISTLGPG

BDBM50045800

n/a

Name

BDBM50045800

Synonyms:

CHEMBL317999 | {[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-phenethyl-amino}-acetic acid

Type

Small organic molecule

Emp. Form.

C33H39N3O5

Mol. Mass.

557.6799

SMILES

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(6.49,-7.36,;5.16,-8.14,;3.83,-8.91,;3.83,-10.46,;4.74,-11.7,;3.85,-12.96,;2.38,-12.49,;1.03,-13.26,;-.3,-12.49,;-.3,-10.94,;1.03,-10.17,;2.36,-10.94,;3.81,-7.37,;2.48,-6.6,;1.38,-7.68,;2.08,-5.11,;.59,-4.71,;-.74,-3.9,;-1.3,-2.5,;-2.93,-2.64,;-4.05,-3.69,;-3.49,-5.11,;-2.22,-5.75,;-1.14,-4.72,;-1.72,-3.41,;-1.88,-5.02,;6.49,-8.9,;6.49,-10.44,;8.03,-8.9,;8.8,-7.57,;10.34,-7.57,;11.11,-6.23,;10.32,-4.91,;11.09,-3.58,;12.63,-3.57,;13.42,-4.91,;12.65,-6.24,;8.8,-10.23,;10.34,-10.23,;11.11,-11.56,;11.11,-8.9,)|

Structure