Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.5 BDBM83918

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
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM83918 ((2,6-dimorpholinopyrimidin-4-yl)-[(4-isopropylbenz...) Show SMILES CC(C)c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:9.9| Show InChI InChI=1S/C22H30N6O2/c1-17(2)19-5-3-18(4-6-19)16-23-26-20-15-21(27-7-11-29-12-8-27)25-22(24-20)28-9-13-30-14-10-28/h3-6,15,17H,7-14,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.91E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM83918 ((2,6-dimorpholinopyrimidin-4-yl)-[(4-isopropylbenz...) Show SMILES CC(C)c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:9.9| Show InChI InChI=1S/C22H30N6O2/c1-17(2)19-5-3-18(4-6-19)16-23-26-20-15-21(27-7-11-29-12-8-27)25-22(24-20)28-9-13-30-14-10-28/h3-6,15,17H,7-14,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM83918 ((2,6-dimorpholinopyrimidin-4-yl)-[(4-isopropylbenz...) Show SMILES CC(C)c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:9.9| Show InChI InChI=1S/C22H30N6O2/c1-17(2)19-5-3-18(4-6-19)16-23-26-20-15-21(27-7-11-29-12-8-27)25-22(24-20)28-9-13-30-14-10-28/h3-6,15,17H,7-14,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair