BDBM50428575 CHEMBL2337960

SMILES: COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3)C(=O)CC2C)c2cc(nn12)C(F)(F)F

InChI Key: InChIKey=PEORTJSUKHVBTF-UHFFFAOYSA-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 = 50428575   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428575 (CHEMBL2337960) Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C28H29F3N6O4/c1-17-15-25(39)36(13-3-4-14-41-19-7-5-18(6-8-19)21-10-11-24(38)33-32-21)35-27(17)20-9-12-26(40-2)37-22(20)16-23(34-37)28(29,30)31/h5-9,12,16-17H,3-4,10-11,13-15H2,1-2H3,(H,33,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PDE4B (unknown origin) by radiochemical assay				Bioorg Med Chem Lett 23: 375-81 (2012) Article DOI: 10.1016/j.bmcl.2012.08.121 BindingDB Entry DOI: 10.7270/Q2B27WNB
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50428575 (CHEMBL2337960) Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C28H29F3N6O4/c1-17-15-25(39)36(13-3-4-14-41-19-7-5-18(6-8-19)21-10-11-24(38)33-32-21)35-27(17)20-9-12-26(40-2)37-22(20)16-23(34-37)28(29,30)31/h5-9,12,16-17H,3-4,10-11,13-15H2,1-2H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PDE3A (unknown origin) by radiochemical assay				Bioorg Med Chem Lett 23: 375-81 (2012) Article DOI: 10.1016/j.bmcl.2012.08.121 BindingDB Entry DOI: 10.7270/Q2B27WNB
					More data for this Ligand-Target Pair