null

SMILES: CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12

InChI Key: InChIKey=HGGSYJSJSPZXSF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 34635   

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
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.83E+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
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.78E+3	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
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.62E+3	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))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Caspase-9 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.91E+3	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
Caspase-3 (Homo sapiens (Human))	BDBM34635 (MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...) Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.07E+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