BDBM86948 17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-beta-[(3'-nitro)benzamido]morphinan::CAS_24822632::NSC_24822632

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=NDNMHHFETMBSOL-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 = 86948   

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))	BDBM86948 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1cccc(c1)[N+]([O-])=O |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C27H29N3O6/c31-20-7-6-16-13-21-27(33)9-8-19(28-25(32)17-2-1-3-18(12-17)30(34)35)24-26(27,22(16)23(20)36-24)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,28,32)	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM86948 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1cccc(c1)[N+]([O-])=O |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C27H29N3O6/c31-20-7-6-16-13-21-27(33)9-8-19(28-25(32)17-2-1-3-18(12-17)30(34)35)24-26(27,22(16)23(20)36-24)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.280	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))	BDBM86948 (17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1cccc(c1)[N+]([O-])=O |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18| Show InChI InChI=1S/C27H29N3O6/c31-20-7-6-16-13-21-27(33)9-8-19(28-25(32)17-2-1-3-18(12-17)30(34)35)24-26(27,22(16)23(20)36-24)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.23	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