BDBM50128419 1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-1-phenyl-ethanol::CHEMBL61191

SMILES: CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1

InChI Key: InChIKey=ZYHYJLXHCQUEQV-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50128419   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1				J Med Chem 46: 2413-26 (2003) Article DOI: 10.1021/jm0204542 BindingDB Entry DOI: 10.7270/Q24X5756
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)				Bioorg Med Chem Lett 13: 1923-6 (2003) BindingDB Entry DOI: 10.7270/Q25X289K
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)				Bioorg Med Chem Lett 13: 1923-6 (2003) BindingDB Entry DOI: 10.7270/Q25X289K
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)				Bioorg Med Chem Lett 13: 1923-6 (2003) BindingDB Entry DOI: 10.7270/Q25X289K
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)				Bioorg Med Chem Lett 13: 1923-6 (2003) BindingDB Entry DOI: 10.7270/Q25X289K
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50128419 (1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...				J Med Chem 46: 2413-26 (2003) Article DOI: 10.1021/jm0204542 BindingDB Entry DOI: 10.7270/Q24X5756
					More data for this Ligand-Target Pair