Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.3 BDBM80194Purchase

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
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80194 (3-(phenoxymethyl)-4-(3-pyridinylmethylideneamino)-...) Show SMILES S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccnc1 |w:14.15| Show InChI InChI=1S/C15H13N5OS/c22-15-19-18-14(11-21-13-6-2-1-3-7-13)20(15)17-10-12-5-4-8-16-9-12/h1-10H,11H2,(H,19,22)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.71E+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
DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM80194 (3-(phenoxymethyl)-4-(3-pyridinylmethylideneamino)-...) Show SMILES S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccnc1 |w:14.15| Show InChI InChI=1S/C15H13N5OS/c22-15-19-18-14(11-21-13-6-2-1-3-7-13)20(15)17-10-12-5-4-8-16-9-12/h1-10H,11H2,(H,19,22)/b17-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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