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SMILES: CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1

InChI Key: InChIKey=YJGQAUOQIDQXIT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50204458   

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))	BDBM50204458 (CHEMBL245049 | MCL-433) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18| Show InChI InChI=1S/C19H26N2O2/c1-20-18(22)23-14-7-6-13-11-17-15-5-3-4-8-19(15,16(13)12-14)9-10-21(17)2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204458 (CHEMBL245049 | MCL-433) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18| Show InChI InChI=1S/C19H26N2O2/c1-20-18(22)23-14-7-6-13-11-17-15-5-3-4-8-19(15,16(13)12-14)9-10-21(17)2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	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]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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50204458 (CHEMBL245049 | MCL-433) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18| Show InChI InChI=1S/C19H26N2O2/c1-20-18(22)23-14-7-6-13-11-17-15-5-3-4-8-19(15,16(13)12-14)9-10-21(17)2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,20,22)	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 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204458 (CHEMBL245049 | MCL-433) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18| Show InChI InChI=1S/C19H26N2O2/c1-20-18(22)23-14-7-6-13-11-17-15-5-3-4-8-19(15,16(13)12-14)9-10-21(17)2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,20,22)	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	29	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204458 (CHEMBL245049 | MCL-433) Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18| Show InChI InChI=1S/C19H26N2O2/c1-20-18(22)23-14-7-6-13-11-17-15-5-3-4-8-19(15,16(13)12-14)9-10-21(17)2/h6-7,12,15,17H,3-5,8-11H2,1-2H3,(H,20,22)	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	50	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