Ki Summary

Reaction Details

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Target

Protein kinase C theta type

Ligand

BDBM50517670

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1869432 (CHEMBL4370498)

IC50

0.660000±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

BDBM50517670

n/a

Name

BDBM50517670

Synonyms:

CHEMBL4529215

Type

Small organic molecule

Emp. Form.

C30H37F3N6O2

Mol. Mass.

570.649

SMILES

O[C@H]1CC[C@H](CC1)NC1C2CC3CC1CC(CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2 |r,wD:4.7,1.0,TLB:12:13:40:10.11.39,12:11:8.13.14:40,THB:7:8:40:10.11.39,39:11:8:14.15.40,39:15:8:10.12.11,(53.17,-31.45,;54.35,-30.46,;55.8,-30.98,;56.98,-29.99,;56.71,-28.49,;55.26,-27.95,;54.08,-28.94,;57.88,-27.49,;59.33,-28.01,;61.08,-28.14,;61.53,-29.48,;62.68,-30.35,;61.05,-30.36,;60.6,-28.92,;61.83,-27.91,;63.45,-27.95,;64.78,-27.18,;66.12,-27.95,;66.12,-29.49,;64.8,-30.26,;64.79,-31.8,;63.46,-32.57,;63.46,-34.11,;62.12,-34.88,;60.79,-34.1,;59.46,-34.87,;59.46,-36.41,;60.8,-37.18,;62.13,-36.41,;63.46,-37.18,;63.47,-38.72,;63.48,-40.12,;62.23,-39.74,;64.72,-39.73,;66.13,-32.57,;67.47,-31.8,;67.46,-30.25,;68.79,-29.47,;70.12,-28.7,;63.87,-29.4,;62.23,-27.2,)|

Structure