null

SMILES: CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C

InChI Key: InChIKey=XTKCDFBHEUHUSB-MHWRWJLKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78821   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM78821 (MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>2.00E+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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM78821 (MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.85E+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
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM78821 (MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	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/Q2SB447H
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM78821 (MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.47E+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/Q25M647F
					More data for this Ligand-Target Pair