BDBM50390252 CHEMBL2070406

SMILES: CSC[C@H](O)[C@@H](CO)CN(C)Cc1c[nH]c2c(N)ncnc12

InChI Key: InChIKey=BZDYVYRPKNQSFW-MNOVXSKESA-N

Data: 1 KI

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 1 hit for monomerid = 50390252   

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
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM50390252 (CHEMBL2070406) Show SMILES CSC[C@H](O)[C@@H](CO)CN(C)Cc1c[nH]c2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O2S/c1-19(5-10(6-20)11(21)7-22-2)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20-21H,4-7H2,1-2H3,(H2,15,17,18)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis				Bioorg Med Chem 20: 5181-7 (2012) Article DOI: 10.1016/j.bmc.2012.07.006 BindingDB Entry DOI: 10.7270/Q2XG9S6F
					More data for this Ligand-Target Pair