BDBM50514268 CHEMBL4578955

SMILES: CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1

InChI Key: InChIKey=XFDIYQRODQBNBJ-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 = 50514268   

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))	BDBM50514268 (CHEMBL4578955) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1 Show InChI InChI=1S/C22H27N3O2/c1-18-21(26)25(20-9-5-6-13-23-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-3-2-4-8-19/h2-9,13,18H,10-12,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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))	BDBM50514268 (CHEMBL4578955) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1 Show InChI InChI=1S/C22H27N3O2/c1-18-21(26)25(20-9-5-6-13-23-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-3-2-4-8-19/h2-9,13,18H,10-12,14-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	930	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))	BDBM50514268 (CHEMBL4578955) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1 Show InChI InChI=1S/C22H27N3O2/c1-18-21(26)25(20-9-5-6-13-23-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-3-2-4-8-19/h2-9,13,18H,10-12,14-17H2,1H3	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	1.99E+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