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SMILES: COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O

InChI Key: InChIKey=YMQYXUZWOQEIQD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108447   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108447 (3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...) Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108447 (3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...) Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108447 (3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...) Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair