BDBM50140797 (2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-pyrrolidine-3,4-diol; hydrochloride::CHEMBL554896

SMILES: CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12

InChI Key: InChIKey=PLIGEAXYYNDCDB-RXDXJJGDSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50140797   

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))	BDBM50140797 ((2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidi...) Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/t6-,8+,10-,11+/m1/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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase				J Med Chem 47: 3275-81 (2004) Article DOI: 10.1021/jm0306475 BindingDB Entry DOI: 10.7270/Q2PZ59J8
					More data for this Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM50140797 ((2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidi...) Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/t6-,8+,10-,11+/m1/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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase				J Med Chem 47: 3275-81 (2004) Article DOI: 10.1021/jm0306475 BindingDB Entry DOI: 10.7270/Q2PZ59J8
					More data for this Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM50140797 ((2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidi...) Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/t6-,8+,10-,11+/m1/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	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against Methylthioadenosine phosphorylase				J Med Chem 47: 1322-4 (2004) Article DOI: 10.1021/jm030455+ BindingDB Entry DOI: 10.7270/Q29W0G6V
					More data for this Ligand-Target Pair