BDBM50101309 CHEMBL3326360

SMILES: [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(O)c1

InChI Key: InChIKey=CNHQLXJWTWVSSF-FCMAGTKHSA-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 = 50101309   

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 (Cavia porcellus (domestic guinea pig))	BDBM50101309 (CHEMBL3326360) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(O)c1 |r| Show InChI InChI=1S/C21H23NO5/c1-20(14-7-5-9-16(11-14)24-3)18-22-17(12-25-18)26-21(2,19(22)27-20)13-6-4-8-15(23)10-13/h4-11,17-19,23H,12H2,1-3H3/t17-,18-,19-,20+,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	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]U69593 from kappa opioid receptor in guinea pig cerebellum				ACS Med Chem Lett 5: 868-72 (2014) Article DOI: 10.1021/ml5000542 BindingDB Entry DOI: 10.7270/Q218388Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50101309 (CHEMBL3326360) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(O)c1 |r| Show InChI InChI=1S/C21H23NO5/c1-20(14-7-5-9-16(11-14)24-3)18-22-17(12-25-18)26-21(2,19(22)27-20)13-6-4-8-15(23)10-13/h4-11,17-19,23H,12H2,1-3H3/t17-,18-,19-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 mu opioid receptor in mouse whole brain without cerebellum				ACS Med Chem Lett 5: 868-72 (2014) Article DOI: 10.1021/ml5000542 BindingDB Entry DOI: 10.7270/Q218388Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50101309 (CHEMBL3326360) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(OC)c1)[C@@](C)(O2)c1cccc(O)c1 |r| Show InChI InChI=1S/C21H23NO5/c1-20(14-7-5-9-16(11-14)24-3)18-22-17(12-25-18)26-21(2,19(22)27-20)13-6-4-8-15(23)10-13/h4-11,17-19,23H,12H2,1-3H3/t17-,18-,19-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 delta opioid receptor in mouse whole brain without cerebellum				ACS Med Chem Lett 5: 868-72 (2014) Article DOI: 10.1021/ml5000542 BindingDB Entry DOI: 10.7270/Q218388Q
					More data for this Ligand-Target Pair