BDBM50514258 CHEMBL4560624

SMILES: CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=SBBYFXIXMFNMNQ-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50514258   

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))	BDBM50514258 (CHEMBL4560624) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-7-8-20(27-15-19)23(24,25)26)16-22(31-17)10-13-28(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514258 (CHEMBL4560624) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-7-8-20(27-15-19)23(24,25)26)16-22(31-17)10-13-28(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514258 (CHEMBL4560624) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-7-8-20(27-15-19)23(24,25)26)16-22(31-17)10-13-28(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3	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	>1.00E+3	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