BDBM50326399 (+/-)-trans-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]-3-hydroxypyrrolidine::(3R,4S)-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]-3-hydroxypyrrolidine::CHEMBL1243249

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

InChI Key: InChIKey=BFOYGDDPGLNFME-JQWIXIFHSA-N

Data: 2 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 2 hits for monomerid = 50326399   

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))	BDBM50326399 ((+/-)-trans-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]...) Show SMILES CCCC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C15H23N5O/c1-2-3-4-10-6-20(8-12(10)21)7-11-5-17-14-13(11)18-9-19-15(14)16/h5,9-10,12,17,21H,2-4,6-8H2,1H3,(H2,16,18,19)/t10-,12-/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	0.550	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
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM50326399 ((+/-)-trans-4-Butyl-1-[(9-deazaadenin-9-yl)methyl]...) Show SMILES CCCC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C15H23N5O/c1-2-3-4-10-6-20(8-12(10)21)7-11-5-17-14-13(11)18-9-19-15(14)16/h5,9-10,12,17,21H,2-4,6-8H2,1H3,(H2,16,18,19)/t10-,12-/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	0.800	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