BindingDB PrimarySearch

BDBM14360 (-)-1::(R)-(-)-3-{2-[(3-cyclopropyloxy-4-difluromethoxy)phenyl]-2-[5-(2-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro)ethyl)thiazolyl]ethyl}pyridine N-Oxide::3-[(2R)-2-[3-cyclopropoxy-4-(difluoromethoxy)phenyl]-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]ethyl]-1-oxidopyridin-1-ium::L-869299

SMILES: OC(c1cnc(s1)[C@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=SPOLCPORTSDTGD-OAHLLOKOSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14360
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM14360 ((-)-1 \| (R)-(-)-3-{2-[(3-cyclopropyloxy-4-diflurom...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.5	22
University of North Carolina at Chapel Hill					Assay Description PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...				J Med Chem 49: 1867-73 (2006) Article DOI: 10.1021/jm051273d BindingDB Entry DOI: 10.7270/Q2MK6B48
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM14360 ((-)-1 \| (R)-(-)-3-{2-[(3-cyclopropyloxy-4-diflurom...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	22
University of North Carolina at Chapel Hill					Assay Description PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...				J Med Chem 49: 1867-73 (2006) Article DOI: 10.1021/jm051273d BindingDB Entry DOI: 10.7270/Q2MK6B48
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1 (Homo sapiens (Human))	BDBM14360 ((-)-1 \| (R)-(-)-3-{2-[(3-cyclopropyloxy-4-diflurom...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	7.5	22
University of North Carolina at Chapel Hill					Assay Description PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...				J Med Chem 49: 1867-73 (2006) Article DOI: 10.1021/jm051273d BindingDB Entry DOI: 10.7270/Q2MK6B48
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14360 ((-)-1 \| (R)-(-)-3-{2-[(3-cyclopropyloxy-4-diflurom...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	22
University of North Carolina at Chapel Hill					Assay Description PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...				J Med Chem 49: 1867-73 (2006) Article DOI: 10.1021/jm051273d BindingDB Entry DOI: 10.7270/Q2MK6B48
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair				3D Structure (crystal)