null

SMILES: C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1

InChI Key: InChIKey=JSKRFEDZROYDSL-IHTKTJBKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50386681   

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))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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	0.340	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))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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	94	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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	n/a	n/a	3.60	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...				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))	BDBM50386681 (CHEMBL2048764) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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	27	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