null
SMILES: CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
InChI Key: InChIKey=MEANENDBNRVQSP-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50417073 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 |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50417073
(CHEMBL1234887)Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Positive modulation of GluR1 |
Bioorg Med Chem Lett 20: 6072-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.063 BindingDB Entry DOI: 10.7270/Q2930VFM |
More data for this Ligand-Target Pair | |
Glutamate receptor 2
(Homo sapiens (Human)) | BDBM50417073
(CHEMBL1234887)Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Modulatory activity at GluA2 receptor LBD |
Bioorg Med Chem Lett 21: 805-11 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.098 BindingDB Entry DOI: 10.7270/Q2Q52QWZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |