Target
Histone-arginine methyltransferase CARM1
Ligand
BDBM440529
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<100±n/a nM
Citation
 Chesworth, RMoradei, OMShapiro, GJin, LBabine, 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:
BDBM440529
Synonyms:
US10633389, Example 195-3 | US20230279020, Example 195-3
Type:
Small organic molecule
Emp. Form.:
C27H33Cl2FN6O3
Mol. Mass.:
579.494
SMILES:
CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N[C@H]2CCN(C[C@H]2F)C2CC2)c(Cl)c(n1)-c1c(C)noc1C |r,wD:3.3,18.18,23.25,(-11.44,2.34,;-10.11,1.57,;-8.77,2.34,;-7.44,1.57,;-7.44,.03,;-6.1,2.34,;-4.77,1.57,;-3.44,2.34,;-3.44,3.88,;-2.1,4.65,;-.77,3.88,;.56,4.65,;-.77,2.34,;-2.1,1.57,;.56,1.57,;1.9,2.34,;3.23,1.57,;4.56,2.34,;5.9,1.57,;5.9,.03,;7.23,-.74,;8.57,.03,;8.57,1.57,;7.23,2.34,;7.23,3.88,;9.9,-.74,;10.67,-2.07,;11.44,-.74,;3.23,.03,;4.56,-.74,;1.9,-.74,;.56,.03,;1.9,-2.28,;3.14,-3.19,;4.63,-2.79,;2.67,-4.65,;1.13,-4.65,;.65,-3.19,;-.84,-2.79,)|
Structure:
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