BDBM50133227 10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::CHEMBL133454

SMILES: CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC

InChI Key: InChIKey=OYIKPBIRVBYLLZ-SSMLKLAUSA-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 = 50133227   

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))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50133227 (10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
					More data for this Ligand-Target Pair