Reaction Details Report a problem with these data
Target
Activated CDC42 kinase 1
Ligand
BDBM98459
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
175.9±n/a nM
Citation
 Crew, AP; Jin, M; Kadalbajoo, M; Kleinberg, A; Mulvihill, MJ; Wang, J Substituted imidazopyr- and imidazotri-azines US Patent  US8481733 Publication Date 7/9/2013 
Target
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:
MQPEEGTGWLLELLSEVQLQQYFLRLRDDLNVTRLSHFEYVKNEDLEKIGMGRPGQRRLWEAVKRRKALCKRKSWMSKVFSGKRLEAEFPPHHSQSTFRKTSPAPGGPAGEGPLQSLTCLIGEKDLRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLKPDVLSQPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQPTDMRALQDFEEPDKLHIQMNDVITVIEGRAENYWWRGQNTRTLCVGPFPRNVVTSVAGLSAQDISQPLQNSFIHTGHGDSDPRHCWGFPDRIDELYLGNPMDPPDLLSVELSTSRPPQHLGGVKKPTYDPVSEDQDPLSSDFKRLGLRKPGLPRGLWLAKPSARVPGTKASRGSGAEVTLIDFGEEPVVPALRPCAPSLAQLAMDACSLLDETPPQSPTRALPRPLHPTPVVDWDARPLPPPPAYDDVAQDEDDFEICSINSTLVGAGVPAGPSQGQTNYAFVPEQARPPPPLEDNLFLPPQGGGKPPSSAQTAEIFQALQQECMRQLQAPAGSPAPSPSPGGDDKPQVPPRVPIPPRPTRPHVQLSPAPPGEEETSQWPGPASPPRVPPREPLSPQGSRTPSPLVPPGSSPLPPRLSSSPGKTMPTTQSFASDPKYATPQVIQAPGPRAGPCILPIVRDGKKVSSTHYYLLPERPSYLERYQRFLREAQSPEEPTPLPVPLLLPPPSTPAPAAPTATVRPMPQAALDPKANFSTNNSNPGARPPPPRATARLPQRGCPGDGPEAGRPADKIQMAMVHGVTTEECQAALQCHGWSVQRAAQYLKVEQLFGLGLRPRGECHKVLEMFDWNLEQAGCHLLGSWGPAHHKR
  
Inhibitor
Name:
BDBM98459
Synonyms:
US8481733, 271
Type:
Small organic molecule
Emp. Form.:
C24H26N6O
Mol. Mass.:
414.5028
SMILES:
NC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12 |r,wU:5.8,wD:2.1,(-.46,-8.88,;.63,-7.79,;.23,-6.31,;1.32,-5.22,;.92,-3.73,;-.56,-3.33,;-1.65,-4.42,;-1.25,-5.91,;-.96,-1.84,;-.06,-.6,;-.96,.65,;-.56,2.14,;.92,2.53,;1.32,4.02,;.23,5.11,;.63,6.6,;2.12,7,;3.21,5.91,;4.7,6.31,;5.09,7.79,;4.01,8.88,;2.52,8.48,;-1.25,4.71,;-1.65,3.22,;-2.43,.17,;-3.76,.94,;-3.76,2.48,;-5.09,.17,;-5.09,-1.37,;-3.76,-2.14,;-2.43,-1.37,)|
Structure:
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