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Target
Histone-arginine methyltransferase CARM1
Ligand
BDBM440399
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:
BDBM440399
Synonyms:
US10633389, Example 64-3 | US20230279020, Example 64-3
Type:
Small organic molecule
Emp. Form.:
C27H34F2N6O5
Mol. Mass.:
560.5929
SMILES:
CNC[C@@H](O)COc1ccc(F)c(c1)-c1nc(N[C@H]2CCN(C[C@H]2F)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,18.18,23.25,(-12,2.34,;-10.67,1.57,;-9.34,2.34,;-8,1.57,;-8,.03,;-6.67,2.34,;-5.33,1.57,;-4,2.34,;-4,3.88,;-2.67,4.65,;-1.33,3.88,;,4.65,;-1.33,2.34,;-2.67,1.57,;,1.57,;1.33,2.34,;2.67,1.57,;4,2.34,;5.33,1.57,;5.33,.03,;6.67,-.74,;8,.03,;8,1.57,;6.67,2.34,;6.67,3.88,;9.34,-.74,;9.34,-2.28,;10.67,.03,;12,-.74,;2.67,.03,;4,-.74,;1.33,-.74,;,.03,;1.33,-2.28,;2.58,-3.19,;4.07,-2.79,;2.1,-4.65,;.56,-4.65,;.09,-3.19,;-1.4,-2.79,)|
Structure:
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