Reaction Details Report a problem with these data
Target
Catenin beta-1
Ligand
BDBM50519659
Substrate
n/a
Meas. Tech.
ChEMBL_1877628 (CHEMBL4379022)
Kd
18±n/a nM
Citation
 Dougherty, PG; Wen, J; Pan, X; Koley, A; Ren, JG; Sahni, A; Basu, R; Salim, H; Appiah Kubi, G; Qian, Z; Pei, D Enhancing the Cell Permeability of Stapled Peptides with a Cyclic Cell-Penetrating Peptide. J Med Chem 62:10098-10107 (2019) [PubMed]  Article 
Target
Name:
Catenin beta-1
Synonyms:
Beta-catenin | CTNB1_MOUSE | Catenin beta-1 | Catnb | Ctnnb1
Type:
PROTEIN
Mol. Mass.:
85458.04
Organism:
Mus musculus
Description:
ChEMBL_117451
Residue:
781
Sequence:
MATQADLMELDMAMEPDRKAAVSHWQQQSYLDSGIHSGATTTAPSLSGKGNPEEEDVDTSQVLYEWEQGFSQSFTQEQVADIDGQYAMTRAQRVRAAMFPETLDEGMQIPSTQFDAAHPTNVQRLAEPSQMLKHAVVNLINYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRMSEDKPQDYKKRLSVELTSSLFRTEPMAWNETADLGLDIGAQGEALGYRQDDPSYRSFHSGGYGQDALGMDPMMEHEMGGHHPGADYPVDGLPDLGHAQDLMDGLPPGDSNQLAWFDTDL
  
Inhibitor
Name:
BDBM50519659
Synonyms:
CHEMBL4577037
Type:
Small organic molecule
Emp. Form.:
C114H154N24O29S2
Mol. Mass.:
2388.716
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)c2)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:62.62,131.138,138.145,50.51,32.32,12.12,4.4,2.2,wD:82.84,75.75,66.72,130.136,146.153,40.40,23.23,8.163,161.170,(72.63,-29.56,;72.63,-31.11,;71.29,-31.88,;69.96,-31.11,;71.3,-33.42,;69.96,-34.19,;68.62,-33.42,;68.62,-31.88,;67.29,-34.19,;65.95,-33.43,;64.62,-34.19,;64.62,-35.73,;63.29,-33.42,;63.29,-31.88,;64.62,-31.11,;64.62,-29.57,;65.95,-28.8,;65.95,-27.26,;67.28,-26.49,;64.62,-26.49,;61.95,-34.19,;60.62,-33.42,;60.62,-31.88,;59.28,-34.19,;59.28,-35.73,;60.62,-36.51,;60.62,-38.04,;61.96,-38.82,;59.28,-38.82,;57.95,-33.42,;56.61,-34.19,;56.61,-35.73,;55.28,-33.42,;55.28,-31.88,;56.61,-31.12,;56.61,-29.57,;57.94,-31.88,;53.95,-34.2,;52.61,-33.42,;52.61,-31.88,;51.28,-34.2,;51.28,-35.74,;52.61,-36.51,;52.78,-38.04,;54.28,-38.36,;55.06,-37.03,;54.02,-35.88,;49.94,-33.42,;48.6,-34.2,;48.6,-35.74,;47.27,-33.42,;47.27,-31.89,;42.59,-28.7,;42.59,-27.16,;41.26,-26.39,;41.25,-24.84,;39.91,-24.08,;38.58,-24.84,;38.58,-26.39,;37.24,-27.16,;37.24,-28.7,;31.25,-31.89,;31.25,-33.43,;29.92,-34.21,;28.59,-33.43,;28.59,-31.89,;27.25,-34.21,;27.25,-35.75,;28.59,-36.52,;28.59,-38.06,;29.92,-38.83,;27.25,-38.83,;25.93,-33.44,;24.52,-34.08,;23.27,-33.18,;24.37,-35.61,;25.52,-36.63,;24.9,-38.04,;23.37,-37.89,;23.04,-36.39,;21.7,-35.62,;21.69,-34.08,;20.37,-36.38,;20.37,-38.74,;19.04,-39.52,;17.71,-38.74,;16.37,-39.52,;16.38,-41.06,;15.04,-41.83,;17.72,-41.83,;19.05,-41.05,;19.03,-35.62,;17.7,-36.39,;17.7,-37.93,;16.36,-35.62,;15.03,-36.39,;13.69,-35.63,;13.69,-34.09,;12.36,-36.4,;11.02,-35.63,;9.69,-36.4,;9.69,-37.95,;8.36,-35.64,;8.35,-34.09,;7.01,-33.32,;5.69,-34.09,;5.68,-35.64,;7.02,-36.4,;4.9,-36.96,;3.36,-36.95,;5.66,-38.3,;4.35,-33.32,;3.02,-34.1,;3.01,-35.63,;1.66,-36.39,;.34,-35.61,;-1.01,-36.37,;.35,-34.07,;1.69,-33.31,;1.69,-31.77,;3.02,-31.01,;3.03,-29.49,;4.36,-28.73,;4.37,-27.19,;5.68,-29.51,;5.67,-31.03,;4.34,-31.78,;32.59,-34.2,;32.6,-35.74,;33.93,-33.43,;35.26,-34.2,;35.26,-35.74,;36.6,-36.52,;33.93,-36.52,;33.93,-38.06,;36.59,-33.43,;36.59,-31.89,;37.93,-34.2,;39.26,-33.43,;39.26,-31.89,;40.59,-31.12,;40.59,-29.58,;41.94,-31.89,;40.6,-34.2,;40.6,-35.74,;41.94,-33.43,;43.27,-34.2,;43.27,-35.74,;44.6,-36.51,;44.6,-38.05,;45.94,-35.74,;44.6,-33.43,;44.6,-31.89,;45.94,-34.2,;39.91,-27.16,;67.29,-35.73,;65.95,-36.5,;68.62,-36.5,;72.63,-34.19,;72.63,-35.73,;73.96,-33.42,;75.3,-34.19,;75.3,-35.73,;76.63,-36.5,;76.63,-38.04,;77.96,-35.72,;76.63,-33.42,;77.96,-34.19,;76.62,-31.87,)|
Structure:
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