BDBM50428586 CHEMBL2337973

SMILES: COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F

InChI Key: InChIKey=MBHXZZZBLSPABZ-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 = 50428586   

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 3 (PDE3) (Homo sapiens (Human))	BDBM50428586 (CHEMBL2337973) Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C28H26F5N5O4S/c1-27(2)24(15-7-10-18(41-3)22-23(15)43-25(34-22)28(31,32)33)37-38(26(27)40)12-4-5-13-42-17-9-6-14(20(29)21(17)30)16-8-11-19(39)36-35-16/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428586 (CHEMBL2337973) Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F |t:6,18| Show InChI InChI=1S/C28H26F5N5O4S/c1-27(2)24(15-7-10-18(41-3)22-23(15)43-25(34-22)28(31,32)33)37-38(26(27)40)12-4-5-13-42-17-9-6-14(20(29)21(17)30)16-8-11-19(39)36-35-16/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	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