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Target
Activated CDC42 kinase 1
Ligand
BDBM50204580
Substrate
n/a
Meas. Tech.
ChEMBL_454457 (CHEMBL903634)
IC50
1±n/a nM
Citation
 DiMauro, EF; Newcomb, J; Nunes, JJ; Bemis, JE; Boucher, C; Buchanan, JL; Buckner, WH; Cheng, A; Faust, T; Hsieh, F; Huang, X; Lee, JH; Marshall, TL; Martin, MW; McGowan, DC; Schneider, S; Turci, SM; White, RD; Zhu, X Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR. Bioorg Med Chem Lett 17:2305-9 (2007) [PubMed]  Article 
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:
BDBM50204580
Synonyms:
CHEMBL247667 | N-phenethyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amine
Type:
Small organic molecule
Emp. Form.:
C32H32N4O2
Mol. Mass.:
504.6221
SMILES:
C(Cc1ccccc1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: