Ki Summary

Reaction Details

Report a problem with these data

Target

Cholecystokinin receptor type A

Ligand

BDBM50005813

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_50060

IC50

39±n/a nM

Citation

Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem35:1472-84 (1992) [PubMed]

More Info.:

Get all data from this article, Assay Method

Cholecystokinin receptor type A

Name:

Cholecystokinin receptor type A

Synonyms:

CCKAR_RAT | Cckar | Cholecystokinin peripheral | Cholecystokinin receptor | Cholecystokinin receptor type A

Type:

Enzyme Catalytic Domain

Mol. Mass.:

49676.37

Organism:

RAT

Description:

Cholecystokinin central 0 RAT::P30551

Residue:

444

Sequence:

MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQI
LLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLK
DFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAAT
WCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVM
VVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQL
SSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAE
KHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEE
DGRTIRALLSRYSYSHMSTSAPPP

BDBM50005813

n/a

Name

BDBM50005813

Synonyms:

3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyloxy]-1-phenyl-ethylcarbamoyl}-acrylic acid methyl ester | CHEMBL287079

Type

Small organic molecule

Emp. Form.

C36H41N3O7

Mol. Mass.

627.7266

SMILES

COC(=O)C=CC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |w:4.3,wU:33.34,31.43,37.38,wD:9.8,35.42,TLB:29:30:36:33.38.34,THB:34:35:30:33.32.38,32:31:36:33.38.34,32:33:30.31.39:36,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)|

Structure