Reaction Details Report a problem with these data
Target
Insulin-like growth factor 1 receptor
Ligand
BDBM50327970
Substrate
n/a
Meas. Tech.
ChEMBL_665187 (CHEMBL1260606)
IC50
113±n/a nM
Citation
 Wang, GT; Mantei, RA; Hubbard, RD; Wilsbacher, JL; Zhang, Q; Tucker, L; Hu, X; Kovar, P; Johnson, EF; Osterling, DJ; Bouska, J; Wang, J; Davidsen, SK; Bell, RL; Sheppard, GS Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases. Bioorg Med Chem Lett 20:6067-71 (2010) [PubMed]  Article 
Target
Name:
Insulin-like growth factor 1 receptor
Synonyms:
CD_antigen=CD221 | IGF-I receptor | IGF1R | IGF1R_HUMAN | Insulin-like growth factor 1 receptor (IGF1R) | Insulin-like growth factor 1 receptor (IGFIR) | Insulin-like growth factor 1 receptor alpha chain | Insulin-like growth factor 1 receptor beta chain | Insulin-like growth factor I receptor | Insulin-like growth factor receptor (IGFR)
Type:
Protein
Mol. Mass.:
154776.79
Organism:
Homo sapiens (Human)
Description:
P08069
Residue:
1367
Sequence:
MKSGSGGGSPTSLWGLLFLSAALSLWPTSGEICGPGIDIRNDYQQLKRLENCTVIEGYLHILLISKAEDYRSYRFPKLTVITEYLLLFRVAGLESLGDLFPNLTVIRGWKLFYNYALVIFEMTNLKDIGLYNLRNITRGAIRIEKNADLCYLSTVDWSLILDAVSNNYIVGNKPPKECGDLCPGTMEEKPMCEKTTINNEYNYRCWTTNRCQKMCPSTCGKRACTENNECCHPECLGSCSAPDNDTACVACRHYYYAGVCVPACPPNTYRFEGWRCVDRDFCANILSAESSDSEGFVIHDGECMQECPSGFIRNGSQSMYCIPCEGPCPKVCEEEKKTKTIDSVTSAQMLQGCTIFKGNLLINIRRGNNIASELENFMGLIEVVTGYVKIRHSHALVSLSFLKNLRLILGEEQLEGNYSFYVLDNQNLQQLWDWDHRNLTIKAGKMYFAFNPKLCVSEIYRMEEVTGTKGRQSKGDINTRNNGERASCESDVLHFTSTTTSKNRIIITWHRYRPPDYRDLISFTVYYKEAPFKNVTEYDGQDACGSNSWNMVDVDLPPNKDVEPGILLHGLKPWTQYAVYVKAVTLTMVENDHIRGAKSEILYIRTNASVPSIPLDVLSASNSSSQLIVKWNPPSLPNGNLSYYIVRWQRQPQDGYLYRHNYCSKDKIPIRKYADGTIDIEEVTENPKTEVCGGEKGPCCACPKTEAEKQAEKEEAEYRKVFENFLHNSIFVPRPERKRRDVMQVANTTMSSRSRNTTAADTYNITDPEELETEYPFFESRVDNKERTVISNLRPFTLYRIDIHSCNHEAEKLGCSASNFVFARTMPAEGADDIPGPVTWEPRPENSIFLKWPEPENPNGLILMYEIKYGSQVEDQRECVSRQEYRKYGGAKLNRLNPGNYTARIQATSLSGNGSWTDPVFFYVQAKTGYENFIHLIIALPVAVLLIVGGLVIMLYVFHRKRNNSRLGNGVLYASVNPEYFSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEAASMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEMENNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEQPYQGLSNEQVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVSFYYSEENKLPEPEELDLEPENMESVPLDPSASSSSLPLPDRHSGHKAENGPGPGVLVLRASFDERQPYAHMNGGRKNERALPLPQSSTC
  
Inhibitor
Name:
BDBM50327970
Synonyms:
CHEMBL1256419 | cis-2-(4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenylamino)benzo[d]oxazole-7-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C30H32N10O
Mol. Mass.:
548.6415
SMILES:
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(C#N)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(41.57,-11.36,;41.11,-9.9,;39.6,-9.56,;39.14,-8.1,;40.17,-6.96,;41.68,-7.28,;42.14,-8.76,;39.7,-5.5,;38.19,-5.17,;37.72,-3.71,;38.74,-2.57,;40.26,-2.88,;40.73,-4.35,;38.26,-1.11,;39.17,.14,;38.27,1.38,;38.75,2.84,;37.98,4.18,;38.75,5.51,;40.29,5.5,;41.06,6.83,;42.6,6.83,;43.51,8.09,;44.98,7.61,;46.31,8.38,;47.64,7.61,;47.65,6.05,;46.31,5.28,;46.31,3.74,;46.32,2.21,;44.98,6.05,;43.51,5.58,;41.06,4.18,;40.3,2.84,;36.81,.9,;35.48,1.67,;35.48,3.21,;34.15,.9,;34.15,-.64,;35.48,-1.4,;36.8,-.63,)|
Structure:
Search PDB for entries with ligand similarity: