Reaction Details Report a problem with these data
Target
DNA (cytosine-5)-methyltransferase 3B
Ligand
BDBM50031317
Substrate
n/a
Meas. Tech.
ChEMBL_1436392 (CHEMBL3389595)
IC50
>200000±n/a nM
Citation
 Chen, S; Wang, Y; Zhou, W; Li, S; Peng, J; Shi, Z; Hu, J; Liu, YC; Ding, H; Lin, Y; Li, L; Cheng, S; Liu, J; Lu, T; Jiang, H; Liu, B; Zheng, M; Luo, C Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening. J Med Chem 57:9028-41 (2014) [PubMed]  Article 
Target
Name:
DNA (cytosine-5)-methyltransferase 3B
Synonyms:
DNM3B_HUMAN | DNMT3B
Type:
PROTEIN
Mol. Mass.:
95771.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1473708
Residue:
853
Sequence:
MKGDTRHLNGEEDAGGREDSILVNGACSDQSSDSPPILEAIRTPEIRGRRSSSRLSKREVSSLLSYTQDLTGDGDGEDGDGSDTPVMPKLFRETRTRSESPAVRTRNNNSVSSRERHRPSPRSTRGRQGRNHVDESPVEFPATRSLRRRATASAGTPWPSPPSSYLTIDLTDDTEDTHGTPQSSSTPYARLAQDSQQGGMESPQVEADSGDGDSSEYQDGKEFGIGDLVWGKIKGFSWWPAMVVSWKATSKRQAMSGMRWVQWFGDGKFSEVSADKLVALGLFSQHFNLATFNKLVSYRKAMYHALEKARVRAGKTFPSSPGDSLEDQLKPMLEWAHGGFKPTGIEGLKPNNTQPVVNKSKVRRAGSRKLESRKYENKTRRRTADDSATSDYCPAPKRLKTNCYNNGKDRGDEDQSREQMASDVANNKSSLEDGCLSCGRKNPVSFHPLFEGGLCQTCRDRFLELFYMYDDDGYQSYCTVCCEGRELLLCSNTSCCRCFCVECLEVLVGTGTAAEAKLQEPWSCYMCLPQRCHGVLRRRKDWNVRLQAFFTSDTGLEYEAPKLYPAIPAARRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE
  
Inhibitor
Name:
BDBM50031317
Synonyms:
CHEMBL3358015
Type:
Small organic molecule
Emp. Form.:
C25H25N3O
Mol. Mass.:
383.4855
SMILES:
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Structure:
Search PDB for entries with ligand similarity: