Ki Summary

Reaction Details

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Target

Cholecystokinin receptor type A

Ligand

BDBM50045816

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_49729

1039±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

Cholecystokinin receptor type A

Name:

Cholecystokinin receptor type A

Synonyms:

Type:

n/a

Mol. Mass.:

48229.77

Organism:

Cavia porcellus

Description:

n/a

Residue:

430

Sequence:

MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNT
LVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYF
MGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYS
NLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGI
KFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRS
SSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLL
SYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSY
SHMSTSAPPP

BDBM50045816

n/a

Name

BDBM50045816

Synonyms:

CHEMBL319880 | {[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-[2-(2,4-dichloro-phenyl)-ethyl]-amino}-acetic acid

Type

Small organic molecule

Emp. Form.

C33H37Cl2N3O5

Mol. Mass.

626.57

SMILES

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:17.19,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(25.85,-.15,;24.53,-.92,;23.2,-1.7,;23.22,-3.24,;24.13,-4.48,;23.22,-5.74,;21.75,-5.27,;20.4,-6.04,;19.07,-5.27,;19.07,-3.73,;20.4,-2.95,;21.75,-3.72,;23.03,-.52,;21.68,.25,;20.6,-.82,;21.3,1.74,;19.81,2.14,;18.07,2.14,;16.99,1.1,;15.73,1.74,;15.17,3.15,;16.29,4.2,;17.92,4.36,;18.49,2.94,;17.34,1.84,;17.51,3.43,;25.86,-1.69,;25.85,-3.23,;27.4,-1.69,;28.17,-.35,;29.71,-.35,;30.48,1,;29.7,2.31,;30.46,3.66,;32.01,3.66,;32.77,4.99,;32.79,2.31,;32.02,.98,;32.78,-.35,;28.17,-3.02,;29.71,-3.02,;30.48,-4.35,;30.48,-1.68,)|

Structure