BDBM50086682 (+)-18-Methoxycoronaridine hydrochloride::(+/-)-18-Methoxycoronaridine hydrochloride::(-)-18-Methoxycoronaridine hydrochloride::CHEMBL554230

SMILES: COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC

InChI Key: InChIKey=DTJQBBHYRQYDEG-UHFFFAOYSA-N

Data: 9 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50086682   

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 opioid receptor (CALF)	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 of calf cortex using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50086682 ((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...) Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5| Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand				Bioorg Med Chem Lett 10: 473-6 (2000) BindingDB Entry DOI: 10.7270/Q28W3DTX
					More data for this Ligand-Target Pair