BDBM50326401 (+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-(penta-3-yl)pyrrolidine::CHEMBL1243278

SMILES: CCC(CC)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O

InChI Key: InChIKey=VQEXADMJUBNECC-JSGCOSHPSA-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 = 50326401   

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))	BDBM50326401 ((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydro...) Show SMILES CCC(CC)C[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C17H27N5O/c1-3-11(4-2)5-12-7-22(9-14(12)23)8-13-6-19-16-15(13)20-10-21-17(16)18/h6,10-12,14,19,23H,3-5,7-9H2,1-2H3,(H2,18,20,21)/t12-,14-/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	18	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 His-tagged human MTAP				J Med Chem 53: 6730-46 (2010) Article DOI: 10.1021/jm100898v BindingDB Entry DOI: 10.7270/Q22R3RWQ
					More data for this Ligand-Target Pair