BDBM50326661 CHEMBL1254018::CHEMBL1254291

SMILES: Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O

InChI Key: InChIKey=OKGUGNHKQJGQIN-AHIWAGSCSA-N

Data: 6 KI  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 8 hits for monomerid = 50326661   

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 (Rattus norvegicus (rat))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50326661 (CHEMBL1254018 | CHEMBL1254291) Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r| Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair