BDBM462232 US10766893, Example 1a

SMILES: CCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=UIVFRKVIYRJRGX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 462232   

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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM462232 (US10766893, Example 1a) Show SMILES CCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...				US Patent US10766893 (2020)
					More data for this Ligand-Target Pair
Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM462232 (US10766893, Example 1a) Show SMILES CCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...				US Patent US10766893 (2020)
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM462232 (US10766893, Example 1a) Show SMILES CCOc1ncccc1-c1cc(NCc2cccn3c(C)nnc23)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C25H28N8O/c1-6-34-25-19(10-7-11-26-25)20-13-21(23-22(28-20)16(4)31-33(23)15(2)3)27-14-18-9-8-12-32-17(5)29-30-24(18)32/h7-13,15H,6,14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...				US Patent US10766893 (2020)
					More data for this Ligand-Target Pair