Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.1 BDBM76650Purchase

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

Found 3 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 6 (Homo sapiens (Human))	BDBM76650 (2-bromobenzoic acid [1-(4-methylphenyl)ethylidenea...) Show SMILES CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1 Show InChI InChI=1S/C16H14BrNO2/c1-11-7-9-13(10-8-11)12(2)18-20-16(19)14-5-3-4-6-15(14)17/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.81E+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))	BDBM76650 (2-bromobenzoic acid [1-(4-methylphenyl)ethylidenea...) Show SMILES CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1 Show InChI InChI=1S/C16H14BrNO2/c1-11-7-9-13(10-8-11)12(2)18-20-16(19)14-5-3-4-6-15(14)17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.13E+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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76650 (2-bromobenzoic acid [1-(4-methylphenyl)ethylidenea...) Show SMILES CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1 Show InChI InChI=1S/C16H14BrNO2/c1-11-7-9-13(10-8-11)12(2)18-20-16(19)14-5-3-4-6-15(14)17/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.69E+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/Q2MS3R7H
					More data for this Ligand-Target Pair