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Target
Histone-arginine methyltransferase CARM1
Ligand
BDBM440455
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<100±n/a nM
Citation
 Chesworth, R; Moradei, OM; Shapiro, G; Jin, L; Babine, RE CARM1 inhibitors and uses thereof US Patent  US10633389 Publication Date 4/28/2020 
Target
Name:
Histone-arginine methyltransferase CARM1
Synonyms:
CARM1 | CARM1_HUMAN | Coactivator-associated arginine methyltransferase 1 | Coactivator-associated arginine methyltransferase 1 (CARM1) | PRMT4 | Protein arginine N-methyltransferase 4 | Protein arginine methyltransferase 4 (PRMT4)
Type:
Protein
Mol. Mass.:
65855.47
Organism:
Homo sapiens (Human)
Description:
Q86X55
Residue:
608
Sequence:
MAAAAAAVGPGAGGAGSAVPGGAGPCATVSVFPGARLLTIGDANGEIQRHAEQQALRLEVRAGPDSAGIALYSHEDVCVFKCSVSRETECSRVGKQSFIITLGCNSVLIQFATPNDFCSFYNILKTCRGHTLERSVFSERTEESSAVQYFQFYGYLSQQQNMMQDYVRTGTYQRAILQNHTDFKDKIVLDVGCGSGILSFFAAQAGARKIYAVEASTMAQHAEVLVKSNNLTDRIVVIPGKVEEVSLPEQVDIIISEPMGYMLFNERMLESYLHAKKYLKPSGNMFPTIGDVHLAPFTDEQLYMEQFTKANFWYQPSFHGVDLSALRGAAVDEYFRQPVVDTFDIRILMAKSVKYTVNFLEAKEGDLHRIEIPFKFHMLHSGLVHGLAFWFDVAFIGSIMTVWLSTAPTEPLTHWYQVRCLFQSPLFAKAGDTLSGTCLLIANKRQSYDISIVAQVDQTGSKSSNLLDLKNPFFRYTGTTPSPPPGSHYTSPSENMWNTGSTYNLSSGMAVAGMPTAYDLSSVIASGSSVGHNNLIPLANTGIVNHTHSRMGSIMSTGIVQGSSGAQGSGGGSTSAHYAVNSQFTMGGPAISMASPMSIPTNTMHYGS
  
Inhibitor
Name:
BDBM440455
Synonyms:
US10633389, Example 120-3 | US20230279020, Example 120-3
Type:
Small organic molecule
Emp. Form.:
C26H32ClN5O4
Mol. Mass.:
514.016
SMILES:
CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCOC3)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-10.13,1.94,;-8.8,1.17,;-7.46,1.94,;-6.13,1.17,;-6.13,-.37,;-4.8,1.94,;-3.46,1.17,;-2.13,1.94,;-2.13,3.48,;-.79,4.25,;.54,3.48,;1.87,4.25,;.54,1.94,;-.79,1.17,;1.87,1.17,;3.21,1.94,;4.54,1.17,;5.87,1.94,;7.36,1.54,;7.76,3.03,;6.27,3.43,;7.76,4.57,;9.22,5.05,;10.13,3.8,;9.22,2.56,;4.54,-.37,;5.87,-1.14,;3.21,-1.14,;1.87,-.37,;3.21,-2.68,;1.96,-3.58,;.63,-2.81,;2.44,-5.05,;3.98,-5.05,;4.45,-3.58,;5.79,-2.81,)|
Structure:
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