Reaction Details Report a problem with these data
Target
Histone-arginine methyltransferase CARM1
Ligand
BDBM440444
Substrate
n/a
Meas. Tech.
ChEMBL_2277359
IC50
6.0±n/a nM
Citation
 Zhang, Z; Guo, Z; Xu, X; Cao, D; Yang, H; Li, Y; Shi, Q; Du, Z; Guo, X; Wang, X; Chen, D; Zhang, Y; Chen, L; Zhou, K; Li, J; Geng, M; Huang, X; Xiong, B Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J Med Chem 64:16650-16674 (2021) [PubMed] 
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:
BDBM440444
Synonyms:
US10633389, Example 109-3 | US20230279020, Example 109-3
Type:
Small organic molecule
Emp. Form.:
C29H37ClN6O5
Mol. Mass.:
585.094
SMILES:
CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCN(CC3)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-12.28,1.03,;-10.95,.26,;-9.61,1.03,;-8.28,.26,;-8.28,-1.28,;-6.94,1.03,;-5.61,.26,;-4.28,1.03,;-4.28,2.57,;-2.94,3.34,;-1.61,2.57,;-.28,3.34,;-1.61,1.03,;-2.94,.26,;-.28,.26,;1.06,1.03,;2.39,.26,;3.72,1.03,;5.21,.63,;5.61,2.11,;4.12,2.51,;6.94,1.34,;8.28,2.11,;8.28,3.65,;6.94,4.42,;5.61,3.65,;9.61,4.42,;9.61,5.96,;10.95,3.65,;12.28,4.42,;2.39,-1.28,;3.72,-2.05,;1.06,-2.05,;-.28,-1.28,;1.06,-3.59,;-.19,-4.5,;-1.65,-4.02,;.29,-5.96,;1.83,-5.96,;2.3,-4.5,;3.77,-4.02,)|
Structure:
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