BDBM50402948 CHEMBL2206225

SMILES: CC(O)(C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1)C(F)(F)F

InChI Key: InChIKey=DXWVYUAWMGHOEQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50402948   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50402948 (CHEMBL2206225) Show SMILES CC(O)(C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1)C(F)(F)F Show InChI InChI=1S/C25H24F3N5O2S/c1-24(34,25(26,27)28)16-10-14-33(15-11-16)21-22(30-13-12-29-21)35-18-8-6-17(7-9-18)31-23-32-19-4-2-3-5-20(19)36-23/h2-9,12-13,16,34H,10-11,14-15H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay				Bioorg Med Chem Lett 22: 7371-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.078 BindingDB Entry DOI: 10.7270/Q2GB257C
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50402948 (CHEMBL2206225) Show SMILES CC(O)(C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1)C(F)(F)F Show InChI InChI=1S/C25H24F3N5O2S/c1-24(34,25(26,27)28)16-10-14-33(15-11-16)21-22(30-13-12-29-21)35-18-8-6-17(7-9-18)31-23-32-19-4-2-3-5-20(19)36-23/h2-9,12-13,16,34H,10-11,14-15H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2A				Bioorg Med Chem Lett 22: 7371-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.078 BindingDB Entry DOI: 10.7270/Q2GB257C
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50402948 (CHEMBL2206225) Show SMILES CC(O)(C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1)C(F)(F)F Show InChI InChI=1S/C25H24F3N5O2S/c1-24(34,25(26,27)28)16-10-14-33(15-11-16)21-22(30-13-12-29-21)35-18-8-6-17(7-9-18)31-23-32-19-4-2-3-5-20(19)36-23/h2-9,12-13,16,34H,10-11,14-15H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PDE4D				Bioorg Med Chem Lett 22: 7371-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.078 BindingDB Entry DOI: 10.7270/Q2GB257C
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50402948 (CHEMBL2206225) Show SMILES CC(O)(C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1)C(F)(F)F Show InChI InChI=1S/C25H24F3N5O2S/c1-24(34,25(26,27)28)16-10-14-33(15-11-16)21-22(30-13-12-29-21)35-18-8-6-17(7-9-18)31-23-32-19-4-2-3-5-20(19)36-23/h2-9,12-13,16,34H,10-11,14-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE3A using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay				Bioorg Med Chem Lett 22: 7371-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.078 BindingDB Entry DOI: 10.7270/Q2GB257C
					More data for this Ligand-Target Pair