null

SMILES: CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=NHTWPKUCTUYFEM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50204455   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204455 (CHEMBL242046 | MCL-435) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18| Show InChI InChI=1S/C23H32N2O2/c1-24-22(26)27-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-25(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	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]U-69593 from human kappa opioid receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204455 (CHEMBL242046 | MCL-435) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18| Show InChI InChI=1S/C23H32N2O2/c1-24-22(26)27-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-25(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)	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 receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50204455 (CHEMBL242046 | MCL-435) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18| Show InChI InChI=1S/C23H32N2O2/c1-24-22(26)27-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-25(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]naltrindole from human delta opioid receptors expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204455 (CHEMBL242046 | MCL-435) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18| Show InChI InChI=1S/C23H32N2O2/c1-24-22(26)27-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-25(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)	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	11	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 maximal stimulation of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204455 (CHEMBL242046 | MCL-435) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18| Show InChI InChI=1S/C23H32N2O2/c1-24-22(26)27-18-9-8-17-13-21-19-7-2-3-10-23(19,20(17)14-18)11-12-25(21)15-16-5-4-6-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)	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	9.60	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 1508-11 (2007) Article DOI: 10.1016/j.bmcl.2007.01.013 BindingDB Entry DOI: 10.7270/Q2WS8V2W
					More data for this Ligand-Target Pair