Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM43386Purchase

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

Found 7 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2G73C3D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KW5DG0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM43386 ((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...) Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair