BDBM168126 US9073936, 1::US9598426, 1

SMILES: CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O

InChI Key: InChIKey=RKEUHNQOPBPRQD-UHFFFAOYSA-N

Data: 4 KI

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 = 168126   

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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM168126 (US9073936, 1 | US9598426, 1) Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2| Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INTRA-CELLULAR THERAPIES, INC. US Patent					Assay Description Assay: The following phosphodiesterase enzymes may be used: 3′,5′-cyclic-nucleotide-specific bovine brain phosphodiesterase (Sigma, St. L...				US Patent US9598426 (2017) BindingDB Entry DOI: 10.7270/Q29S1T2J
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM168126 (US9073936, 1 | US9598426, 1) Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2| Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-13.4	n/a	n/a	n/a	n/a	n/a	7.5	30
INTRA-CELLULAR THERAPIES, INC. US Patent					Assay Description Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...				US Patent US9073936 (2015) BindingDB Entry DOI: 10.7270/Q2348J5T
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM168126 (US9073936, 1 | US9598426, 1) Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2| Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INTRA-CELLULAR THERAPIES, INC. US Patent									US Patent US9598426 (2017) BindingDB Entry DOI: 10.7270/Q29S1T2J
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM168126 (US9073936, 1 | US9598426, 1) Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2| Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-12.5	n/a	n/a	n/a	n/a	n/a	7.5	30
INTRA-CELLULAR THERAPIES, INC. US Patent					Assay Description Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...				US Patent US9073936 (2015) BindingDB Entry DOI: 10.7270/Q2348J5T
					More data for this Ligand-Target Pair