BDBM86928 17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-beta-(hydroxycinnamoylacetamido)morphinan::CAS_24822802::NSC_24822802

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1

InChI Key: InChIKey=SODRQESUEWMWQE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 86928   

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))	BDBM86928 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	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))	BDBM86928 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(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	0.120	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))	BDBM86928 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.2	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