Ki Summary

Reaction Details

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Target

Activated CDC42 kinase 1

Ligand

BDBM50421253

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_840099 (CHEMBL2090703)

20±n/a nM

Citation

Jiao, X; Kopecky, DJ; Liu, J; Liu, J; Jaen, JC; Cardozo, MG; Sharma, R; Walker, N; Wesche, H; Li, S; Farrelly, E; Xiao, SH; Wang, Z; Kayser, F Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg Med Chem Lett22:6212-7 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Activated CDC42 kinase 1

Name:

Activated CDC42 kinase 1

Synonyms:

ACK1 | ACK1_HUMAN | Activated CDC42 kinase 1 (ACK-1) | TNK2 | Tyrosine kinase non-receptor protein 2

Type:

Protein

Mol. Mass.:

114577.86

Organism:

Homo sapiens (Human)

Description:

Q07912

Residue:

1038

Sequence:

MQPEEGTGWLLELLSEVQLQQYFLRLRDDLNVTRLSHFEYVKNEDLEKIGMGRPGQRRLW
EAVKRRKALCKRKSWMSKVFSGKRLEAEFPPHHSQSTFRKTSPAPGGPAGEGPLQSLTCL
IGEKDLRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLKPDVLSQPEAMDDFIREVNA
MHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGM
GYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPE
SLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDI
YNVMVQCWAHKPEDRPTFVALRDFLLEAQPTDMRALQDFEEPDKLHIQMNDVITVIEGRA
ENYWWRGQNTRTLCVGPFPRNVVTSVAGLSAQDISQPLQNSFIHTGHGDSDPRHCWGFPD
RIDELYLGNPMDPPDLLSVELSTSRPPQHLGGVKKPTYDPVSEDQDPLSSDFKRLGLRKP
GLPRGLWLAKPSARVPGTKASRGSGAEVTLIDFGEEPVVPALRPCAPSLAQLAMDACSLL
DETPPQSPTRALPRPLHPTPVVDWDARPLPPPPAYDDVAQDEDDFEICSINSTLVGAGVP
AGPSQGQTNYAFVPEQARPPPPLEDNLFLPPQGGGKPPSSAQTAEIFQALQQECMRQLQA
PAGSPAPSPSPGGDDKPQVPPRVPIPPRPTRPHVQLSPAPPGEEETSQWPGPASPPRVPP
REPLSPQGSRTPSPLVPPGSSPLPPRLSSSPGKTMPTTQSFASDPKYATPQVIQAPGPRA
GPCILPIVRDGKKVSSTHYYLLPERPSYLERYQRFLREAQSPEEPTPLPVPLLLPPPSTP
APAAPTATVRPMPQAALDPKANFSTNNSNPGARPPPPRATARLPQRGCPGDGPEAGRPAD
KIQMAMVHGVTTEECQAALQCHGWSVQRAAQYLKVEQLFGLGLRPRGECHKVLEMFDWNL
EQAGCHLLGSWGPAHHKR

BDBM50421253

n/a

Name

BDBM50421253

Synonyms:

CHEMBL2087871

Type

Small organic molecule

Emp. Form.

C30H35N5O2

Mol. Mass.

497.6312

SMILES

Cc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(24.43,-22.73,;23.72,-21.96,;24.2,-20.5,;23.17,-19.35,;21.65,-19.68,;21.18,-21.14,;22.21,-22.28,;21.74,-23.74,;22.65,-25,;21.74,-26.25,;20.26,-25.77,;18.93,-26.54,;17.6,-25.77,;17.6,-24.23,;18.93,-23.46,;18.92,-21.92,;17.59,-21.15,;16.26,-21.93,;14.85,-21.31,;13.83,-22.45,;14.6,-23.79,;16.11,-23.46,;20.26,-24.22,;24.18,-24.99,;24.95,-26.33,;26.49,-26.33,;27.26,-24.99,;28.8,-24.99,;29.58,-26.32,;31.12,-26.32,;31.88,-24.99,;33.41,-24.82,;33.73,-23.31,;32.39,-22.54,;31.25,-23.58,;26.48,-23.66,;24.95,-23.66,)|

Structure