BDBM31637 tetrahydrobenzothiophene (THBT), 6

SMILES: CC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O

InChI Key: InChIKey=OBHKTNMETRQPKN-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 31637   

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))	BDBM31637 (tetrahydrobenzothiophene (THBT), 6) Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O Show InChI InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	501	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))	BDBM31637 (tetrahydrobenzothiophene (THBT), 6) Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O Show InChI InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	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				3D Structure (crystal)