BDBM50127169 10-methoxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one

SMILES: COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1

InChI Key: InChIKey=FJJLQZCJBYGMID-PTKRVEMBSA-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 = 50127169   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50127169 (10-methoxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,1...) Show SMILES COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:22:23:28:8.18.17,4:5:28:8.18.17| Show InChI InChI=1S/C34H37NO4/c1-37-28-15-14-26-23-29-34(38-22-8-13-24-9-4-2-5-10-24)18-16-27(36)32-33(34,30(26)31(28)39-32)19-21-35(29)20-17-25-11-6-3-7-12-25/h2-7,9-12,14-15,29,32H,8,13,16-23H2,1H3/t29?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50127169 (10-methoxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,1...) Show SMILES COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:22:23:28:8.18.17,4:5:28:8.18.17| Show InChI InChI=1S/C34H37NO4/c1-37-28-15-14-26-23-29-34(38-22-8-13-24-9-4-2-5-10-24)18-16-27(36)32-33(34,30(26)31(28)39-32)19-21-35(29)20-17-25-11-6-3-7-12-25/h2-7,9-12,14-15,29,32H,8,13,16-23H2,1H3/t29?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50127169 (10-methoxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,1...) Show SMILES COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:22:23:28:8.18.17,4:5:28:8.18.17| Show InChI InChI=1S/C34H37NO4/c1-37-28-15-14-26-23-29-34(38-22-8-13-24-9-4-2-5-10-24)18-16-27(36)32-33(34,30(26)31(28)39-32)19-21-35(29)20-17-25-11-6-3-7-12-25/h2-7,9-12,14-15,29,32H,8,13,16-23H2,1H3/t29?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin II				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair