Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50067545
Substrate
n/a
Meas. Tech.
ChEMBL_1465840 (CHEMBL3406145)
IC50
>100000±n/a nM
Citation
 Kakizawa, T; Ota, Y; Itoh, Y; Tsumoto, H; Suzuki, T Histone H3 peptide based LSD1-selective inhibitors. Bioorg Med Chem Lett 25:1925-8 (2015) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_HUMAN | MAO-B | MAOB | Monoamine oxidase type B | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAOB)
Type:
Protein
Mol. Mass.:
58768.76
Organism:
Homo sapiens (Human)
Description:
P27338
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM50067545
Synonyms:
CHEMBL3402048
Type:
Small organic molecule
Emp. Form.:
C99H178N36O28
Mol. Mass.:
2320.697
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123|
Structure:
Search PDB for entries with ligand similarity: