Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3 BDBM49587Purchase

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

Found 8 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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo assay				Bioorg Med Chem Lett 21: 5992-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.050 BindingDB Entry DOI: 10.7270/Q22Z15XF
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 5992-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.050 BindingDB Entry DOI: 10.7270/Q22Z15XF
					More data for this Ligand-Target Pair
Nuclear hormone receptor family member daf-12 (Caenorhabditis elegans)	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.75E+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, TSRI Assa...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2BV7F8Z
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.75E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23F4N80
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM49587 ((2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]p...) Show SMILES Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C16H15N3S/c17-14-13-11-8-4-5-9-12(11)20-16(13)19-15(18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	873	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7
					More data for this Ligand-Target Pair