BDBM50225681 CHEMBL611395

SMILES: [H][C@@]1(OC11CCC2(O)[C@@]3([H])Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45)C(=O)OCC

InChI Key: InChIKey=LRXVHEQUQAIGOG-LPIMACDJSA-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 = 50225681   

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)	BDBM50225681 (CHEMBL611395) Show SMILES [H][C@@]1(OC11CCC2(O)[C@@]3([H])Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45)C(=O)OCC |r,TLB:23:22:27.11.10:6| Show InChI InChI=1S/C24H29NO6/c1-2-29-20(27)19-23(31-19)7-8-24(28)16-11-14-5-6-15(26)18-17(14)22(24,21(23)30-18)9-10-25(16)12-13-3-4-13/h5-6,13,16,19,21,26,28H,2-4,7-12H2,1H3/t16-,19-,21?,22+,23?,24?/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	3.5	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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225681 (CHEMBL611395) Show SMILES [H][C@@]1(OC11CCC2(O)[C@@]3([H])Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45)C(=O)OCC |r,TLB:23:22:27.11.10:6| Show InChI InChI=1S/C24H29NO6/c1-2-29-20(27)19-23(31-19)7-8-24(28)16-11-14-5-6-15(26)18-17(14)22(24,21(23)30-18)9-10-25(16)12-13-3-4-13/h5-6,13,16,19,21,26,28H,2-4,7-12H2,1H3/t16-,19-,21?,22+,23?,24?/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	2.30	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