Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 296.3 BDBM76363Purchase

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
Caspase-3 (Homo sapiens (Human))	BDBM76363 (4-(4-fluorophenyl)-N-phenyl-3,6-dihydro-1(2H)-pyri...) Show SMILES Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8| Show InChI InChI=1S/C18H17FN2O/c19-16-8-6-14(7-9-16)15-10-12-21(13-11-15)18(22)20-17-4-2-1-3-5-17/h1-10H,11-13H2,(H,20,22)	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	3.43E+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 6 (Homo sapiens (Human))	BDBM76363 (4-(4-fluorophenyl)-N-phenyl-3,6-dihydro-1(2H)-pyri...) Show SMILES Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8| Show InChI InChI=1S/C18H17FN2O/c19-16-8-6-14(7-9-16)15-10-12-21(13-11-15)18(22)20-17-4-2-1-3-5-17/h1-10H,11-13H2,(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.45E+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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76363 (4-(4-fluorophenyl)-N-phenyl-3,6-dihydro-1(2H)-pyri...) Show SMILES Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8| Show InChI InChI=1S/C18H17FN2O/c19-16-8-6-14(7-9-16)15-10-12-21(13-11-15)18(22)20-17-4-2-1-3-5-17/h1-10H,11-13H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.68E+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