BDBM50309957 (exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydrocyclopenta[c]pyrrol-5-yl)-1H-imidazole-4-carboxamide::CHEMBL599264
SMILES: CC(C)Oc1cccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)c1
InChI Key: InChIKey=UTNWHVZSHUCJTA-REPLKXPHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycine transporter 1 (Homo sapiens (Human)) | BDBM50309957 ((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells | Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50309957 ((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50309957 ((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycine transporter 2 (Homo sapiens (Human)) | BDBM50309957 ((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Inhibition of human glycine transporter 2-mediated glycine uptake expressed in HEK293 cells | Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5 | |||||||||||
More data for this Ligand-Target Pair |