BDBM50315822 ({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid::CHEMBL1089560
SMILES: CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
InChI Key: InChIKey=CLQLYUNDQWWPIM-KQYNXXCUSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human)) | BDBM50315822 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Mixed type inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate preincubated for 3... | J Med Chem 56: 8308-20 (2013) Article DOI: 10.1021/jm400918s BindingDB Entry DOI: 10.7270/Q2F47QMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50315822 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 760 | n/a | n/a | n/a | n/a |
Bar-Ilan University Curated by ChEMBL | Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization | J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1 | |||||||||||
More data for this Ligand-Target Pair |