BDBM50397848 CHEMBL2179096

SMILES: CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1

InChI Key: InChIKey=BRMLQSDHYPTXMV-YLJYHZDGSA-N

Data: 2 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 2 hits for monomerid = 50397848   

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 9A (Homo sapiens (Human))	BDBM50397848 (CHEMBL2179096) Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9045-54 (2012) Article DOI: 10.1021/jm3007799 BindingDB Entry DOI: 10.7270/Q24J0G79
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM50397848 (CHEMBL2179096) Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9045-54 (2012) Article DOI: 10.1021/jm3007799 BindingDB Entry DOI: 10.7270/Q24J0G79
					More data for this Ligand-Target Pair