BDBM50042053 CHEMBL3360172

SMILES: CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N

InChI Key: InChIKey=OZGMVFAOJFAKML-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50042053   

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 7 (Homo sapiens (Human))	BDBM50042053 (CHEMBL3360172) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N Show InChI InChI=1S/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 607-8042 Curated by ChEMBL					Assay Description Inhibition of PDE7A (unknown origin)				Bioorg Med Chem Lett 25: 649-53 (2015) Article DOI: 10.1016/j.bmcl.2014.11.090 BindingDB Entry DOI: 10.7270/Q2542Q6P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50042053 (CHEMBL3360172) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N Show InChI InChI=1S/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 607-8042 Curated by ChEMBL					Assay Description Inhibition of PDE5A (unknown origin)				Bioorg Med Chem Lett 25: 649-53 (2015) Article DOI: 10.1016/j.bmcl.2014.11.090 BindingDB Entry DOI: 10.7270/Q2542Q6P
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50042053 (CHEMBL3360172) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N Show InChI InChI=1S/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 607-8042 Curated by ChEMBL					Assay Description Inhibition of PDE3A (unknown origin)				Bioorg Med Chem Lett 25: 649-53 (2015) Article DOI: 10.1016/j.bmcl.2014.11.090 BindingDB Entry DOI: 10.7270/Q2542Q6P
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50042053 (CHEMBL3360172) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N Show InChI InChI=1S/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 607-8042 Curated by ChEMBL					Assay Description Inhibition of PDE4B (unknown origin)				Bioorg Med Chem Lett 25: 649-53 (2015) Article DOI: 10.1016/j.bmcl.2014.11.090 BindingDB Entry DOI: 10.7270/Q2542Q6P
					More data for this Ligand-Target Pair