BDBM50225686 CHEMBL367540

SMILES: [H][C@@]1(OC11CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45)C(=O)OCC

InChI Key: InChIKey=RUQQPVXMOKJQCG-PGOBBTRTSA-N

Data: 2 IC50

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 = 50225686   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225686 (CHEMBL367540) Show SMILES [H][C@@]1(OC11CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45)C(=O)OCC |r,TLB:22:21:23.10.9:6| Show InChI InChI=1S/C21H25NO6/c1-3-26-17(24)16-20(28-16)6-7-21(25)13-10-11-4-5-12(23)15-14(11)19(21,18(20)27-15)8-9-22(13)2/h4-5,13,16,18,23,25H,3,6-10H2,1-2H3/t13?,16-,18?,19+,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the absence of NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225686 (CHEMBL367540) Show SMILES [H][C@@]1(OC11CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45)C(=O)OCC |r,TLB:22:21:23.10.9:6| Show InChI InChI=1S/C21H25NO6/c1-3-26-17(24)16-20(28-16)6-7-21(25)13-10-11-4-5-12(23)15-14(11)19(21,18(20)27-15)8-9-22(13)2/h4-5,13,16,18,23,25H,3,6-10H2,1-2H3/t13?,16-,18?,19+,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair