BDBM50326404 (+/-)-trans-4-(Cyclohexylmethyl)-1-[(9-deaza-adenin-9-yl)methyl]-3-hydroxypyrrolidine::CHEMBL1243280

SMILES: Nc1ncnc2c(CN3C[C@H](O)[C@@H](CC4CCCCC4)C3)c[nH]c12

InChI Key: InChIKey=ILPFWLXPQUHHBC-ZFWWWQNUSA-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 = 50326404   

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))	BDBM50326404 ((+/-)-trans-4-(Cyclohexylmethyl)-1-[(9-deaza-adeni...) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CC4CCCCC4)C3)c[nH]c12 |r| Show InChI InChI=1S/C18H27N5O/c19-18-17-16(21-11-22-18)14(7-20-17)9-23-8-13(15(24)10-23)6-12-4-2-1-3-5-12/h7,11-13,15,20,24H,1-6,8-10H2,(H2,19,21,22)/t13-,15-/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	14	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