BDBM171858 US9085584, 27

SMILES: Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1

InChI Key: InChIKey=MYTWOYABQDJPSU-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 = 171858   

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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM171858 (US9085584, 27) Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1 Show InChI InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-3-8-26/h4-7,10,26H,3,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM171858 (US9085584, 27) Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1 Show InChI InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-3-8-26/h4-7,10,26H,3,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	958	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM171858 (US9085584, 27) Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1 Show InChI InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-3-8-26/h4-7,10,26H,3,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM171858 (US9085584, 27) Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1 Show InChI InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-3-8-26/h4-7,10,26H,3,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description For assessing activity of compounds on PDE10 inhibition, the following modifications of the protocol described below are applied: protein amount: ...				US Patent US9085584 (2015) BindingDB Entry DOI: 10.7270/Q27P8X54
					More data for this Ligand-Target Pair