BDBM50386671 CHEMBL2048775

SMILES: COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=LZDWRTMQEQSFMP-CVXIRMMQSA-N

Data: 3 KI

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 = 50386671   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386671 (CHEMBL2048775) Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50386671 (CHEMBL2048775) Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50386671 (CHEMBL2048775) Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r| Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair