BDBM21985 5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione::5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione::BMCL162260 Compound 30::Thienopyrimidine-2,4-dione, 1
SMILES: CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O
InChI Key: InChIKey=JOFQERPJMGKMMX-QGZVFWFLSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate Transporter 1 (Homo sapiens (Human)) | BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.80 | -11.2 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca | Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... | J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate Transporter 1 (Homo sapiens (Human)) | BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.80 | -11.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca | Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m... | Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21985 (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair |