BDBM50402949 CHEMBL2206224

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

InChI Key: InChIKey=ARBDZNDJQUKKDD-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 = 50402949   

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))	BDBM50402949 (CHEMBL2206224) Show SMILES CC(C)(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H27N5O2S/c1-25(2,31)17-11-15-30(16-12-17)22-23(27-14-13-26-22)32-19-9-7-18(8-10-19)28-24-29-20-5-3-4-6-21(20)33-24/h3-10,13-14,17,31H,11-12,15-16H2,1-2H3,(H,28,29)	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	4.20	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))	BDBM50402949 (CHEMBL2206224) Show SMILES CC(C)(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H27N5O2S/c1-25(2,31)17-11-15-30(16-12-17)22-23(27-14-13-26-22)32-19-9-7-18(8-10-19)28-24-29-20-5-3-4-6-21(20)33-24/h3-10,13-14,17,31H,11-12,15-16H2,1-2H3,(H,28,29)	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))	BDBM50402949 (CHEMBL2206224) Show SMILES CC(C)(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H27N5O2S/c1-25(2,31)17-11-15-30(16-12-17)22-23(27-14-13-26-22)32-19-9-7-18(8-10-19)28-24-29-20-5-3-4-6-21(20)33-24/h3-10,13-14,17,31H,11-12,15-16H2,1-2H3,(H,28,29)	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))	BDBM50402949 (CHEMBL2206224) Show SMILES CC(C)(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H27N5O2S/c1-25(2,31)17-11-15-30(16-12-17)22-23(27-14-13-26-22)32-19-9-7-18(8-10-19)28-24-29-20-5-3-4-6-21(20)33-24/h3-10,13-14,17,31H,11-12,15-16H2,1-2H3,(H,28,29)	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