BDBM50428571 CHEMBL2337964

SMILES: COc1ccc(C2=NN(CCCCOc3cccc(c3)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F

InChI Key: InChIKey=XAOVQSVAWMQTKB-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 = 50428571   

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))	BDBM50428571 (CHEMBL2337964) Show SMILES COc1ccc(C2=NN(CCCCOc3cccc(c3)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-23(39)37(36-25(17)20-10-11-24(41-4)38-21(20)16-22(35-38)29(30,31)32)12-5-6-13-42-19-9-7-8-18(15-19)26-28(2,3)27(40)34-33-26/h7-11,15-17H,5-6,12-14H2,1-4H3,(H,34,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0640	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))	BDBM50428571 (CHEMBL2337964) Show SMILES COc1ccc(C2=NN(CCCCOc3cccc(c3)C3=NNC(=O)C3(C)C)C(=O)CC2C)c2cc(nn12)C(F)(F)F |t:6,21| Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-23(39)37(36-25(17)20-10-11-24(41-4)38-21(20)16-22(35-38)29(30,31)32)12-5-6-13-42-19-9-7-8-18(15-19)26-28(2,3)27(40)34-33-26/h7-11,15-17H,5-6,12-14H2,1-4H3,(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	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