BDBM50042036 CHEMBL3360170

SMILES: CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC

InChI Key: InChIKey=XSNLHLHGJSLJQA-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 = 50042036   

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))	BDBM50042036 (CHEMBL3360170) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC Show InChI InChI=1S/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)	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	0.680	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))	BDBM50042036 (CHEMBL3360170) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC Show InChI InChI=1S/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)	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	520	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))	BDBM50042036 (CHEMBL3360170) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC Show InChI InChI=1S/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50042036 (CHEMBL3360170) Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC Show InChI InChI=1S/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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