BDBM86926 17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-alpha-[(3', 5'-dimethoxy)benzamido]morphinan::17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-beta-[(3',5'-dimethoxy)benzamido]morphinan::CAS_24822296::CAS_24822633::NSC_24822296::NSC_24822633

SMILES: COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45

InChI Key: InChIKey=NOZNXSHZCPTGEH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 86926   

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))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM86926 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:17:16:19.20.36:29.30.31,15:16:19.20.36:29.30.31| Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by PDSP Ki Database									J Med Chem 51: 1913-24 (2008) Article DOI: 10.1021/jm701060e BindingDB Entry DOI: 10.7270/Q2KS6Q4K
					More data for this Ligand-Target Pair