BDBM92471 Sinefungin

SMILES: NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=LMXOHSDXUQEUSF-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 88 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 92471   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphoehtnaolamine Methyltransferases 2 (PMT2) (Caenorhabditis elegans)	BDBM92471 (Sinefungin) Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.15E+4	n/a	n/a	n/a	n/a	8.0	25
Washington University					Assay Description A radiochemical assay was used to measure enzymatic activity.				J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM92471 (Sinefungin) Show SMILES NC(CCC(N)C(O)=O)CC1OC(C(O)C1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	8.0	25
Washington University					Assay Description A radiochemical assay was used to measure enzymatic activity.				J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair