BDBM50514252 CHEMBL4452042
SMILES: CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl
InChI Key: InChIKey=BLXCYXQUSIEXTF-UHFFFAOYSA-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 |
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Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50514252 (CHEMBL4452042) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA Curated by ChEMBL | Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method | J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50514252 (CHEMBL4452042) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin... | J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50514252 (CHEMBL4452042) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in channel current at -80 mV holding potential by whole cell patch clamp assay | J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50514252 (CHEMBL4452042) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
ESTEVE Pharmaceuticals SA Curated by ChEMBL | Assay Description Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay | J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 | |||||||||||
More data for this Ligand-Target Pair |