BDBM50390248 CHEMBL2070401

SMILES: CSC[C@@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12

InChI Key: InChIKey=OKVIIVFJQDIYAO-DTWKUNHWSA-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 = 50390248   

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))	BDBM50390248 (CHEMBL2070401) Show SMILES CSC[C@@H](O)[C@H](CO)NCc1c[nH]c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H19N5O2S/c1-20-5-9(19)8(4-18)14-2-7-3-15-11-10(7)16-6-17-12(11)13/h3,6,8-9,14-15,18-19H,2,4-5H2,1H3,(H2,13,16,17)/t8-,9+/m0/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	34	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