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Target
Histone-arginine methyltransferase CARM1
Ligand
BDBM440540
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:
BDBM440540
Synonyms:
US10633389, Example 206-3 | US20230279020, Example 206-3
Type:
Small organic molecule
Emp. Form.:
C23H27ClFN5O3
Mol. Mass.:
475.944
SMILES:
CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC(F)C2)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-9.61,2.34,;-8.28,1.57,;-6.94,2.34,;-5.61,1.57,;-5.61,.03,;-4.28,2.34,;-2.94,1.57,;-1.61,2.34,;-1.61,3.88,;-.28,4.65,;1.06,3.88,;2.39,4.65,;1.06,2.34,;-.28,1.57,;2.39,1.57,;3.72,2.34,;5.06,1.57,;6.39,2.34,;7.88,1.94,;8.28,3.43,;9.61,4.2,;6.79,3.83,;5.06,.03,;6.39,-.74,;3.72,-.74,;2.39,.03,;3.72,-2.28,;2.48,-3.19,;.99,-2.79,;2.95,-4.65,;4.49,-4.65,;4.97,-3.19,;6.46,-2.79,)|
Structure:
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