Ki Summary

Reaction Details

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Target

Catenin beta-1

Ligand

BDBM50436056

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_968781 (CHEMBL2399334)

60±n/a nM

Citation

Hahne, G; Grossmann, TN Direct targeting of�-catenin: Inhibition of protein-protein interactions for the inactivation of Wnt signaling. Bioorg Med Chem21:4020-6 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Catenin beta-1

Name:

Catenin beta-1

Synonyms:

CTNB1_HUMAN | CTNNB | CTNNB1

Type:

PROTEIN

Mol. Mass.:

85484.08

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1504364

Residue:

781

Sequence:

MATQADLMELDMAMEPDRKAAVSHWQQQSYLDSGIHSGATTTAPSLSGKGNPEEEDVDTS
QVLYEWEQGFSQSFTQEQVADIDGQYAMTRAQRVRAAMFPETLDEGMQIPSTQFDAAHPT
NVQRLAEPSQMLKHAVVNLINYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSK
KEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPAL
VKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDC
LQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEA
GGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCA
AGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEM
AQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLL
VRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFV
QLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLF
RMSEDKPQDYKKRLSVELTSSLFRTEPMAWNETADLGLDIGAQGEPLGYRQDDPSYRSFH
SGGYGQDALGMDPMMEHEMGGHHPGADYPVDGLPDLGHAQDLMDGLPPGDSNQLAWFDTD
L

BDBM50436056

n/a

Name

BDBM50436056

Synonyms:

CHEMBL2397073

Type

Small organic molecule

Emp. Form.

C92H151N25O28S

Mol. Mass.

2087.399

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O |r,wU:18.18,8.8,139.142,122.129,106.113,4.3,23.23,42.42,59.60,79.80,94.95,wD:130.138,115.116,8.104,2.2,31.31,18.19,52.53,68.69,86.87,c:13,(13.27,-42.64,;13.27,-44.18,;14.61,-44.95,;15.94,-44.18,;14.61,-46.49,;13.27,-47.26,;11.94,-46.49,;11.94,-44.95,;10.6,-47.26,;9.83,-48.58,;11.36,-48.59,;10.59,-49.92,;11.35,-51.25,;10.58,-52.59,;11.35,-53.92,;27.36,-51.25,;26.6,-49.92,;27.37,-48.59,;26.61,-47.26,;25.84,-48.58,;25.28,-46.49,;23.94,-47.26,;23.94,-48.8,;22.61,-46.49,;22.61,-44.95,;23.94,-44.18,;25.28,-44.95,;23.94,-42.64,;21.27,-47.26,;19.94,-46.49,;19.94,-44.95,;18.61,-47.26,;18.61,-48.8,;19.94,-49.57,;19.94,-51.11,;21.27,-48.8,;17.27,-46.49,;15.94,-47.26,;15.94,-48.8,;27.94,-46.49,;27.94,-44.95,;29.28,-47.26,;30.61,-46.49,;30.61,-44.95,;31.94,-44.18,;33.35,-44.81,;34.37,-43.67,;33.61,-42.34,;32.1,-42.66,;31.94,-47.26,;31.94,-48.8,;33.28,-46.49,;34.61,-47.26,;34.61,-48.8,;35.94,-49.57,;33.28,-49.57,;35.94,-46.49,;35.94,-44.95,;37.28,-47.26,;38.61,-46.49,;38.61,-44.95,;39.95,-44.18,;39.95,-42.64,;38.61,-41.87,;41.28,-41.87,;39.95,-47.26,;39.95,-48.8,;41.28,-46.49,;42.61,-47.26,;42.61,-48.8,;43.95,-49.57,;43.95,-51.11,;45.28,-51.88,;45.28,-53.42,;43.95,-54.19,;46.61,-54.19,;43.95,-46.49,;43.95,-44.95,;45.28,-47.26,;46.61,-46.49,;46.61,-44.95,;47.95,-44.18,;45.28,-44.18,;47.95,-47.26,;47.95,-48.8,;49.28,-46.49,;50.61,-47.26,;50.61,-48.8,;51.95,-49.57,;51.95,-51.11,;53.28,-51.88,;51.95,-46.49,;51.95,-44.95,;53.28,-47.26,;54.62,-46.49,;54.62,-44.95,;55.95,-44.18,;55.95,-42.64,;57.28,-41.87,;57.28,-40.33,;55.95,-47.26,;57.28,-46.49,;55.95,-48.8,;9.27,-46.49,;7.94,-47.26,;7.94,-48.8,;6.6,-46.49,;6.6,-44.95,;7.94,-44.18,;7.94,-42.64,;6.6,-41.87,;9.27,-41.87,;5.27,-47.26,;3.94,-46.49,;3.94,-44.95,;2.56,-47.19,;2.56,-48.74,;.9,-48.99,;.16,-47.49,;1.35,-46.3,;1.24,-44.77,;2.51,-43.9,;-.16,-44.1,;-.28,-42.56,;1.01,-41.7,;.89,-40.16,;2.39,-42.36,;-1.44,-44.97,;-2.82,-44.3,;-2.94,-42.76,;-4.1,-45.17,;-3.98,-46.7,;-2.58,-47.37,;-2.47,-48.91,;-3.74,-49.77,;-1.08,-49.57,;-5.48,-44.5,;-6.74,-45.37,;-6.64,-46.9,;-8.14,-44.7,;-9.4,-45.57,;-8.26,-43.16,;-6.98,-42.3,;-7.1,-40.76,;-8.48,-40.09,;-5.82,-39.89,)|

Structure