null

SMILES: C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1

InChI Key: InChIKey=KSWCUTKFCRESFR-KSCKTEMCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50386678   

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))	BDBM50386678 (CHEMBL2048766) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,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	0.170	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))	BDBM50386678 (CHEMBL2048766) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	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))	BDBM50386678 (CHEMBL2048766) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]-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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386678 (CHEMBL2048766) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,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	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...				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))	BDBM50386678 (CHEMBL2048766) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0770	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...				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