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
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]...) | 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]...) | 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 |