Ki Summary

Reaction Details

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Target

Protein kinase C theta type

Ligand

BDBM50517654

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

BDBM50517654

n/a

Name

BDBM50517654

Synonyms:

CHEMBL4441229

Type

Small organic molecule

Emp. Form.

C30H41N7O2

Mol. Mass.

531.6922

SMILES

COc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 |r,wU:31.33,wD:28.29,TLB:36:35:24:22.21.20,THB:36:21:25.35.37:24,20:21:25:37.19.24,20:19:25:22.36.21,26:25:24:22.21.20,(19.14,-16.93,;19.13,-15.39,;17.79,-14.62,;16.47,-15.4,;15.12,-14.63,;15.13,-13.08,;16.46,-12.32,;17.79,-13.09,;19.12,-12.32,;19.12,-10.78,;20.46,-10.01,;21.79,-10.79,;23.13,-10.01,;23.13,-8.46,;24.45,-7.69,;25.78,-6.91,;21.79,-7.7,;21.79,-6.16,;20.45,-5.39,;19.11,-6.16,;19.54,-7.61,;18.34,-8.56,;17.2,-7.7,;16.74,-6.36,;17.89,-5.42,;15,-6.23,;13.55,-5.71,;13.28,-4.19,;11.83,-3.67,;11.56,-2.16,;10.12,-1.63,;8.93,-2.62,;7.49,-2.1,;9.2,-4.14,;10.65,-4.67,;16.27,-7.13,;16.71,-8.58,;17.49,-6.12,;20.46,-8.47,)|

Structure