Reaction Details Report a problem with these data
Target
Activated CDC42 kinase 1
Ligand
BDBM98440
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
112±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:
BDBM98440
Synonyms:
US8481733, 252
Type:
Small organic molecule
Emp. Form.:
C23H20N4O2
Mol. Mass.:
384.4305
SMILES:
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:24.27,26.30,(-2.27,.81,;-2.27,-.73,;-3.61,-1.5,;-3.61,-3.04,;-2.27,-3.81,;-.94,-3.04,;.53,-3.51,;1.43,-2.27,;.53,-1.02,;.92,.46,;2.41,.86,;2.81,2.35,;1.72,3.44,;.23,3.04,;-.17,1.55,;2.12,4.93,;3.61,5.33,;1.03,6.02,;1.43,7.5,;.34,8.59,;-1.15,8.19,;-1.55,6.71,;-.46,5.62,;-.94,-1.5,;.92,-5,;.15,-6.34,;1.49,-7.11,;1.89,-8.59,;2.26,-5.77,)|
Structure:
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