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SMILES: CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1

InChI Key: InChIKey=APZHXGIRWMPKDR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50514233   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514233 (CHEMBL4544352) Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514233 (CHEMBL4544352) Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	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 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514233 (CHEMBL4544352) Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3	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	25	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 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50514233 (CHEMBL4544352) Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair