BDBM31642 tetrahydrobenzothiophene (THBT), 16

SMILES: NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CCCCc12

InChI Key: InChIKey=YVFSXNWSBGMSSC-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 = 31642   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM31642 (tetrahydrobenzothiophene (THBT), 16) Show SMILES NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CCCCc12 Show InChI InChI=1S/C16H15N3O4S/c17-14(20)13-10-6-2-4-8-12(10)24-16(13)18-15(21)9-5-1-3-7-11(9)19(22)23/h1,3,5,7H,2,4,6,8H2,(H2,17,20)(H,18,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...				Bioorg Med Chem 17: 5336-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.061 BindingDB Entry DOI: 10.7270/Q21G0JMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM31642 (tetrahydrobenzothiophene (THBT), 16) Show SMILES NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CCCCc12 Show InChI InChI=1S/C16H15N3O4S/c17-14(20)13-10-6-2-4-8-12(10)24-16(13)18-15(21)9-5-1-3-7-11(9)19(22)23/h1,3,5,7H,2,4,6,8H2,(H2,17,20)(H,18,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...				Bioorg Med Chem 17: 5336-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.061 BindingDB Entry DOI: 10.7270/Q21G0JMF
					More data for this Ligand-Target Pair