Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4 BDBM77509

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM77509 (2-[2-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophe...) Show SMILES COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1 Show InChI InChI=1S/C23H17NO2S/c1-25-18-9-6-16(7-10-18)23-20(12-8-17-5-3-4-14-24-17)21-15-19(26-2)11-13-22(21)27-23/h3-7,9-11,13-15H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77509 (2-[2-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophe...) Show SMILES COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1 Show InChI InChI=1S/C23H17NO2S/c1-25-18-9-6-16(7-10-18)23-20(12-8-17-5-3-4-14-24-17)21-15-19(26-2)11-13-22(21)27-23/h3-7,9-11,13-15H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair