null

SMILES: COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=QHXYHTCZILAGEI-DKRHUIDYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50386680   

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))	BDBM50386680 (CHEMBL2046467) Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/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	1.20	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))	BDBM50386680 (CHEMBL2046467) Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50386680 (CHEMBL2046467) Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	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