BDBM50028079 CHEMBL3338867

SMILES: [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23

InChI Key: InChIKey=NIRCFROYPMCDPY-QCOJBMJGSA-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 = 50028079   

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 (MOUSE)	BDBM50028079 (CHEMBL3338867) Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r| Show InChI InChI=1S/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mouse whole brain MOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50028079 (CHEMBL3338867) Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r| Show InChI InChI=1S/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from guinea pig cerebellum KOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50028079 (CHEMBL3338867) Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r| Show InChI InChI=1S/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse whole brain DOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair