BDBM50402935 CHEMBL2206223

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

InChI Key: InChIKey=GNWKATFENPQMIQ-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50402935   

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
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50402935 (CHEMBL2206223) Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50402935 (CHEMBL2206223) Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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))	BDBM50402935 (CHEMBL2206223) Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50402935 (CHEMBL2206223) Show SMILES CC(O)C1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	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				3D Structure (crystal)