Ki Summary

Reaction Details

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Target

Protein kinase C theta type

Ligand

BDBM50517666

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1869432 (CHEMBL4370498)

IC50

1.9±n/a nM

Citation

Kunikawa, S; Tanaka, A; Takasuna, Y; Tasaki, M; Chida, N Discovery of 2,4-diamino-5-cyanopyrimidine derivatives as protein kinase C theta inhibitors with mitigated time-dependent drug-drug interactions. Bioorg Med Chem27:790-799 (2019) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Protein kinase C theta type

Name:

Protein kinase C theta type

Synonyms:

Type:

Serine/threonine-protein kinase

Mol. Mass.:

81878.04

Organism:

Homo sapiens (Human)

Description:

Full-length human PKC theta (Panvera Catalog No. P2996).

Residue:

706

Sequence:

MSPFLRIGLSNFDCGSCQSCQGEAVNPYCAVLVKEYVESENGQMYIQKKPTMYPPWDSTF
DAHINKGRVMQIIVKGKNVDLISETTVELYSLAERCRKNNGKTEIWLELKPQGRMLMNAR
YFLEMSDTKDMNEFETEGFFALHQRRGAIKQAKVHHVKCHEFTATFFPQPTFCSVCHEFV
WGLNKQGYQCRQCNAAIHKKCIDKVIAKCTGSAINSRETMFHKERFKIDMPHRFKVYNYK
SPTFCEHCGTLLWGLARQGLKCDACGMNVHHRCQTKVANLCGINQKLMAEALAMIESTQQ
ARCLRDTEQIFREGPVEIGLPCSIKNEARPPCLPTPGKREPQGISWESPLDEVDKMCHLP
EPELNKERPSLQIKLKIEDFILHKMLGKGSFGKVFLAEFKKTNQFFAIKALKKDVVLMDD
DVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSR
ATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDAKTNTFC
GTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDNPFYPR
WLEKEAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPFD
CSNFDKEFLNEKPRLSFADRALINSMDQNMFRNFSFMNPGMERLIS

BDBM50517666

n/a

Name

BDBM50517666

Synonyms:

CHEMBL4585918

Type

Small organic molecule

Emp. Form.

C30H37F3N6O

Mol. Mass.

554.6496

SMILES

FC(F)(F)Oc1ccccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC2CCCCC2)C(C4)C3)n1 |TLB:37:36:27:25.24.23,THB:29:28:27:25.24.23,37:24:28.36.38:27,23:24:28:38.22.27,23:22:28:25.37.24,(38.54,-18.1,;38.53,-16.69,;37.29,-17.72,;39.79,-17.71,;38.53,-15.15,;37.19,-14.38,;35.86,-15.16,;34.52,-14.38,;34.52,-12.84,;35.86,-12.08,;37.19,-12.85,;38.52,-12.08,;38.52,-10.54,;39.86,-9.77,;41.19,-10.54,;42.53,-9.77,;42.52,-8.22,;43.85,-7.44,;45.18,-6.67,;41.19,-7.46,;41.18,-5.92,;39.85,-5.15,;38.51,-5.92,;38.94,-7.37,;37.74,-8.32,;36.6,-7.45,;36.14,-6.11,;37.29,-5.17,;34.4,-5.99,;32.95,-5.46,;31.77,-6.46,;30.32,-5.92,;29.15,-6.91,;29.41,-8.43,;30.86,-8.96,;32.04,-7.96,;35.67,-6.89,;36.11,-8.34,;36.89,-5.88,;39.86,-8.23,)|

Structure