Ki Summary

Reaction Details

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Target

Protein kinase C theta type

Ligand

BDBM50517667

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1869432 (CHEMBL4370498)

IC50

0.380000±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

BDBM50517667

n/a

Name

BDBM50517667

Synonyms:

CHEMBL4540382

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,wU:1.0,wD:4.7,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,(52.94,-10.06,;54.12,-9.07,;53.85,-7.55,;55.02,-6.56,;56.48,-7.1,;56.75,-8.6,;55.57,-9.59,;57.65,-6.1,;59.1,-6.62,;60.85,-6.75,;61.3,-8.09,;62.45,-8.96,;60.82,-8.98,;60.37,-7.53,;61.6,-6.52,;63.22,-6.56,;64.55,-5.79,;65.89,-6.56,;65.89,-8.1,;64.56,-8.87,;64.56,-10.41,;63.23,-11.18,;63.23,-12.72,;61.89,-13.49,;60.56,-12.71,;59.23,-13.48,;59.23,-15.02,;60.57,-15.79,;61.9,-15.02,;63.23,-15.79,;63.24,-17.33,;63.24,-18.73,;62,-18.35,;64.49,-18.35,;65.9,-11.18,;67.23,-10.41,;67.23,-8.86,;68.56,-8.08,;69.89,-7.31,;63.64,-8.01,;62,-5.81,)|

Structure