BDBM50436506 CHEMBL2397347
SMILES: C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1C#N
InChI Key: InChIKey=NRWYEXCPHKZKIR-NOCBQHASSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes in presence of NADPH | Bioorg Med Chem Lett 23: 5091-6 (2013) Article DOI: 10.1016/j.bmcl.2013.07.029 BindingDB Entry DOI: 10.7270/Q2KW5HG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH | Bioorg Med Chem Lett 23: 5091-6 (2013) Article DOI: 10.1016/j.bmcl.2013.07.029 BindingDB Entry DOI: 10.7270/Q2KW5HG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 1 (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization | Bioorg Med Chem Lett 23: 3713-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.020 BindingDB Entry DOI: 10.7270/Q2Z60QGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 1 (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins | Bioorg Med Chem Lett 23: 5091-6 (2013) Article DOI: 10.1016/j.bmcl.2013.07.029 BindingDB Entry DOI: 10.7270/Q2KW5HG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 1 (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization | Bioorg Med Chem Lett 23: 3713-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.020 BindingDB Entry DOI: 10.7270/Q2Z60QGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50436506 (CHEMBL2397347) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH | Bioorg Med Chem Lett 23: 5091-6 (2013) Article DOI: 10.1016/j.bmcl.2013.07.029 BindingDB Entry DOI: 10.7270/Q2KW5HG7 | |||||||||||
More data for this Ligand-Target Pair |