BDBM50336596 CHEMBL3216716::[[4,5alpha-Epoxy-3-hydroxy-17-methyl-14beta-[(3-phenylpropyl)oxy]morphinan-6alpha-yl]amino]acetic Acid Dihydrochloride

SMILES: Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O

InChI Key: InChIKey=DXMVOGQVUHPMCQ-MENBUCELSA-N

Data: 2 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 2 hits for monomerid = 50336596   

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 (Rattus norvegicus (rat))	BDBM50336596 (CHEMBL3216716 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...) Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8| Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22+,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting				J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50336596 (CHEMBL3216716 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...) Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8| Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22+,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting				J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV
					More data for this Ligand-Target Pair