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Target
Activated CDC42 kinase 1
Ligand
BDBM50421254
Substrate
n/a
Meas. Tech.
ChEMBL_840100 (CHEMBL2090704)
IC50
40±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 Lett 22:6212-7 (2012) [PubMed]  Article 
Target
Name:
Activated CDC42 kinase 1
Synonyms:
ACK-1 | ACK1_MOUSE | Ack1 | Non-receptor protein tyrosine kinase Ack | Tnk2
Type:
PROTEIN
Mol. Mass.:
116986.19
Organism:
Mus musculus
Description:
ChEMBL_840100
Residue:
1055
Sequence:
MQPEEGTGWLLELLSEVQLQQYFLRLRDDLNITRLSHFEYVKNEDLEKIGMGRPGQRRLWEAVKRRKAMCKRKSWMSKVFSGKRLEAEFPSQHSQSTFRKPSPTPGSLPGEGTLQSLTCLIGEKDLRLLEKLGDGSFGVVRRGEWDAPAGKTVSVAVKCLKPDVLSQPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTLPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMAYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQPTDMRALQDFEEPDKLHIQMNDVITVIEGRAENYWWRGQNTRTLCVGPFPRNVVTSVAGLSAQDISQPLQNSFIHTGHGDSDPRHCWGFPDRIDELYLGNPMDPPDLLSVELSTSRPTQHLGRVKREPPPRPPQPAIFTQKTTYDPVSEDPDPLSSDFKRLGLRKPALPRGLWLAKPSARVPGTKADRSSGGEVTLIDFGEEPVVPTPRPCAPSLAQLAMDACSLLDKTPPQSPTRALPRPLHPTPVVDWDARPLPPPPAYDDVAQDEDDFEVCSINSTLVGAGLPAGPSQGETNYAFVPEQAQMPPALEDNLFLPPQGGGKPPSSVQTAEIFQALQQECMRQLQVPTGQLTPSPTPGGDDKPQVPPRVPIPPRPTRPRVELSPAPSGEEETSRWPGPASPPRVPPREPLSPQGSRTPSPLVPPGSSPLPHRLSSSPGKTMPTTQSFASDPKYATPQVIQAPGPRAGPCILPIVRDGRKVSSTHYYLLPERPPYLERYQRFLREAQSPEEPAALPVPPLLPPPSTPAPAAPTATVRPMPQAAPDPKANFSTNNSNPGARPPSLRAAARLPQRGCPGDGQEAARPADKVQMLQAMVHGVTTEECQAALQSHSWSVQRAAQYLKVEQLFGLGLRPRVECHKVLEMFDWNLEQAGCHLLGSCGPAHHKR
  
Inhibitor
Name:
BDBM50421254
Synonyms:
CHEMBL2087872
Type:
Small organic molecule
Emp. Form.:
C29H32FN5O2
Mol. Mass.:
501.5951
SMILES:
Fc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(1.31,-33.66,;.28,-32.51,;.76,-31.05,;-.28,-29.91,;-1.79,-30.23,;-2.26,-31.7,;-1.23,-32.83,;-1.7,-34.3,;-.79,-35.55,;-1.7,-36.81,;-3.18,-36.33,;-4.51,-37.1,;-5.85,-36.33,;-5.84,-34.78,;-4.51,-34.01,;-4.52,-32.47,;-5.86,-31.71,;-7.19,-32.48,;-8.59,-31.86,;-9.61,-33.01,;-8.84,-34.34,;-7.34,-34.01,;-3.18,-34.78,;.74,-35.55,;1.51,-36.88,;3.05,-36.88,;3.82,-35.55,;5.36,-35.55,;6.13,-36.88,;7.67,-36.88,;8.44,-35.54,;9.97,-35.37,;10.29,-33.87,;8.95,-33.1,;7.81,-34.13,;3.04,-34.21,;1.51,-34.22,)|
Structure:
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