BDBM50101314 CHEMBL3326355

SMILES: CC1(OC2N3C(COC13)OC2(C)c1cccc(O)c1)c1cccc(O)c1

InChI Key: InChIKey=JSZCJTFFFLFQBJ-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 = 50101314   

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)	BDBM50101314 (CHEMBL3326355) Show SMILES CC1(OC2N3C(COC13)OC2(C)c1cccc(O)c1)c1cccc(O)c1 Show InChI InChI=1S/C20H21NO5/c1-19(12-5-3-7-14(22)9-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-6-4-8-15(23)10-13/h3-10,16-18,22-23H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	293	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)	BDBM50101314 (CHEMBL3326355) Show SMILES CC1(OC2N3C(COC13)OC2(C)c1cccc(O)c1)c1cccc(O)c1 Show InChI InChI=1S/C20H21NO5/c1-19(12-5-3-7-14(22)9-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-6-4-8-15(23)10-13/h3-10,16-18,22-23H,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	651	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50101314 (CHEMBL3326355) Show SMILES CC1(OC2N3C(COC13)OC2(C)c1cccc(O)c1)c1cccc(O)c1 Show InChI InChI=1S/C20H21NO5/c1-19(12-5-3-7-14(22)9-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-6-4-8-15(23)10-13/h3-10,16-18,22-23H,11H2,1-2H3	PDB 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]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