Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 183.2 BDBM59578Purchase

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
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM59578 (5-Cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione ...) Show SMILES S=c1[nH]nc([nH]1)C1CCCCC1 Show InChI InChI=1S/C8H13N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM59578 (5-Cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione ...) Show SMILES S=c1[nH]nc([nH]1)C1CCCCC1 Show InChI InChI=1S/C8H13N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11,12)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.38E+4	n/a	n/a	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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM59578 (5-Cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione ...) Show SMILES S=c1[nH]nc([nH]1)C1CCCCC1 Show InChI InChI=1S/C8H13N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair