Reaction Details Report a problem with these data
Target
Activated CDC42 kinase 1
Ligand
BDBM98199
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
152.6±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:
BDBM98199
Synonyms:
US8481733, 10
Type:
Small organic molecule
Emp. Form.:
C22H20N4O2
Mol. Mass.:
372.4198
SMILES:
Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:23.26,25.29,(-5.14,3.1,;-5.14,1.56,;-6.48,.79,;-6.48,-.75,;-5.14,-1.52,;-3.81,-.75,;-2.34,-1.23,;-1.44,.02,;-2.34,1.26,;-1.25,2.35,;.23,1.95,;1.32,3.04,;.92,4.53,;2.01,5.62,;3.5,5.22,;3.9,3.73,;5.39,3.33,;6.48,4.42,;6.08,5.91,;4.59,6.31,;-.56,4.93,;-1.65,3.84,;-3.81,.79,;-1.94,-2.72,;-2.71,-4.05,;-1.38,-4.82,;-.98,-6.31,;-.61,-3.49,)|
Structure:
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