BDBM50170086 1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-4-butylsulfanylmethyl-pyrrolidin-3-ol::CHEMBL365378

SMILES: CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O

InChI Key: InChIKey=LPPXLESBELOVPC-UHFFFAOYSA-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 = 50170086   

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))	BDBM50170086 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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 as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM50170086 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	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 as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair