BDBM50514243 CHEMBL4463621

SMILES: CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1

InChI Key: InChIKey=ORXZYLUNARJXOL-UHFFFAOYSA-N

Data: 2 KI  1 IC50  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 4 hits for monomerid = 50514243   

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))	BDBM50514243 (CHEMBL4463621) Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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))	BDBM50514243 (CHEMBL4463621) Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50514243 (CHEMBL4463621) Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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))	BDBM50514243 (CHEMBL4463621) Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3	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	61	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