Ki Summary

Reaction Details

Report a problem with these data

Target

Protein kinase C theta type

Ligand

BDBM50517655

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1869435 (CHEMBL4370501)

IC50

3.0±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

BDBM50517655

n/a

Name

BDBM50517655

Synonyms:

CHEMBL4547465

Type

Small organic molecule

Emp. Form.

C32H45N7OS

Mol. Mass.

575.811

SMILES

CC(C)Sc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 |r,wU:33.35,wD:30.31,TLB:38:37:26:24.23.22,THB:38:23:27.37.39:26,22:23:27:39.21.26,22:21:27:24.38.23,28:27:26:24.23.22,(65.38,-20.16,;64.05,-19.4,;62.71,-20.17,;64.04,-17.86,;62.7,-17.09,;61.38,-17.86,;60.03,-17.09,;60.04,-15.55,;61.37,-14.78,;62.7,-15.56,;64.03,-14.79,;64.04,-13.25,;65.37,-12.48,;66.7,-13.25,;68.04,-12.48,;68.04,-10.93,;69.36,-10.15,;70.69,-9.38,;66.7,-10.17,;66.7,-8.63,;65.36,-7.86,;64.02,-8.63,;64.45,-10.08,;63.26,-11.03,;62.11,-10.16,;61.65,-8.82,;62.8,-7.88,;59.91,-8.69,;58.46,-8.17,;58.19,-6.66,;56.74,-6.13,;56.47,-4.62,;55.03,-4.1,;53.84,-5.09,;52.4,-4.56,;54.11,-6.61,;55.56,-7.14,;61.18,-9.6,;61.62,-11.04,;62.4,-8.59,;65.37,-10.94,)|

Structure