Ki Summary

Reaction Details

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Target

B-cell CLL/lymphoma 9 protein

Ligand

BDBM50409775

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2268492

IC50

3700±n/a nM

Citation

Li, Z; Zhang, M; Teuscher, KB; Ji, H Discovery of 1-Benzoyl 4-Phenoxypiperidines as Small-Molecule Inhibitors of the ?-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction. J Med Chem64:11195-11218 (2021) [PubMed]

More Info.:

Get all data from this article, Assay Method

B-cell CLL/lymphoma 9 protein

Name:

B-cell CLL/lymphoma 9 protein

Synonyms:

Type:

PROTEIN

Mol. Mass.:

149313.19

Organism:

Homo sapiens

Description:

ChEMBL_117069

Residue:

1426

Sequence:

MHSSNPKVRSSPSGNTQSSPKSKQEVMVRPPTVMSPSGNPQLDSKFSNQGKQGGSASQSQ
PSPCDSKSGGHTPKALPGPGGSMGLKNGAGNGAKGKGKRERSISADSFDQRDPGTPNDDS
DIKECNSADHIKSQDSQHTPHSMTPSNATAPRSSTPSHGQTTATEPTPAQKTPAKVVYVF
STEMANKAAEAVLKGQVETIVSFHIQNISNNKTERSTAPLNTQISALRNDPKPLPQQPPA
PANQDQNSSQNTRLQPTPPIPAPAPKPAAPPRPLDRESPGVENKLIPSVGSPASSTPLPP
DGTGPNSTPNNRAVTPVSQGSNSSSADPKAPPPPPVSSGEPPTLGENPDGLSQEQLEHRE
RSLQTLRDIQRMLFPDEKEFTGAQSGGPQQNPGVLDGPQKKPEGPIQAMMAQSQSLGKGP
GPRTDVGAPFGPQGHRDVPFSPDEMVPPSMNSQSGTIGPDHLDHMTPEQIAWLKLQQEFY
EEKRRKQEQVVVQQCSLQDMMVHQHGPRGVVRGPPPPYQMTPSEGWAPGGTEPFSDGINM
PHSLPPRGMAPHPNMPGSQMRLPGFAGMINSEMEGPNVPNPASRPGLSGVSWPDDVPKIP
DGRNFPPGQGIFSGPGRGERFPNPQGLSEEMFQQQLAEKQLGLPPGMAMEGIRPSMEMNR
MIPGSQRHMEPGNNPIFPRIPVEGPLSPSRGDFPKGIPPQMGPGRELEFGMVPSGMKGDV
NLNVNMGSNSQMIPQKMREAGAGPEEMLKLRPGGSDMLPAQQKMVPLPFGEHPQQEYGMG
PRPFLPMSQGPGSNSGLRNLREPIGPDQRTNSRLSHMPPLPLNPSSNPTSLNTAPPVQRG
LGRKPLDISVAGSQVHSPGINPLKSPTMHQVQSPMLGSPSGNLKSPQTPSQLAGMLAGPA
AAASIKSPPVLGSAAASPVHLKSPSLPAPSPGWTSSPKPPLQSPGIPPNHKAPLTMASPA
MLGNVESGGPPPPTASQPASVNIPGSLPSSTPYTMPPEPTLSQNPLSIMMSRMSKFAMPS
STPLYHDAIKTVASSDDDSPPARSPNLPSMNNMPGMGINTQNPRISGPNPVVPMPTLSPM
GMTQPLSHSNQMPSPNAVGPNIPPHGVPMGPGLMSHNPIMGHGSQEPPMVPQGRMGFPQG
FPPVQSPPQQVPFPHNGPSGGQGSFPGGMGFPGEGPLGRPSNLPQSSADAALCKPGGPGG
PDSFTVLGNSMPSVFTDPDLQEVIRPGATGIPEFDLSRIIPSEKPSQTLQYFPRGEVPGR
KQPQGPGPGFSHMQGMMGEQAPRMGLALPGMGGPGPVGTPDIPLGTAPSMPGHNPMRPPA
FLQQGMMGPHHRMMSPAQSTMPGQPTLMSNPAAAVGMIPGKDRGPAGLYTHPGPVGSPGM
MMSMQGMMGPQQNIMIPPQMRPRGMAADVGMGGFSQGPGNPGNMMF

BDBM50409775

n/a

Name

BDBM50409775

Synonyms:

CHEMBL5266161

Type

Small organic molecule

Emp. Form.

C36H52Cl2F2N4O3

Mol. Mass.

697.726

SMILES

Cl.Cl.CC(C)(C)C1CCC(CC1)c1cc(ccc1O[C@H]1CCNC1)C(=O)N1CCC(CC1)Oc1cc(cc(F)c1F)N1CCNCC1 |r,wD:19.18,(-9.37,-4.21,;8.99,-4.16,;11.98,3.11,;10.65,3.88,;11.98,4.65,;10.65,5.41,;9.31,3.16,;9.31,1.57,;7.98,.85,;6.64,1.62,;6.64,3.16,;7.98,3.93,;5.31,.85,;3.98,1.62,;2.64,.85,;2.64,-.69,;3.98,-1.46,;5.31,-.69,;6.64,-1.46,;6.64,-3,;5.41,-3.92,;5.87,-5.41,;7.41,-5.41,;7.93,-3.92,;1.31,1.62,;1.31,3.16,;-.03,.85,;-1.36,1.62,;-2.69,.85,;-2.69,-.69,;-1.36,-1.46,;-.03,-.69,;-4.03,-1.46,;-5.36,-.69,;-6.64,-1.46,;-7.98,-.69,;-7.98,.85,;-6.64,1.62,;-6.64,3.16,;-5.36,.85,;-4.03,1.62,;-9.31,-1.46,;-10.65,-.69,;-11.98,-1.46,;-11.98,-3,;-10.65,-3.77,;-9.31,-3,)|

Structure