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SMILES: COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1

InChI Key: InChIKey=YOWCHJOHVXTLNO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 30698   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM30698 (2-(2,4-dimethoxyanilino)-7-keto-N-(tetrahydrofurfu...) Show SMILES COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1 Show InChI InChI=1S/C23H24N2O6/c1-28-16-7-8-19(21(12-16)29-2)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-20(14)31-23/h5-8,10-12,17,25H,3-4,9,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM30698 (2-(2,4-dimethoxyanilino)-7-keto-N-(tetrahydrofurfu...) Show SMILES COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1 Show InChI InChI=1S/C23H24N2O6/c1-28-16-7-8-19(21(12-16)29-2)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-20(14)31-23/h5-8,10-12,17,25H,3-4,9,13H2,1-2H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Aspergillus niger)	BDBM30698 (2-(2,4-dimethoxyanilino)-7-keto-N-(tetrahydrofurfu...) Show SMILES COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1 Show InChI InChI=1S/C23H24N2O6/c1-28-16-7-8-19(21(12-16)29-2)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-20(14)31-23/h5-8,10-12,17,25H,3-4,9,13H2,1-2H3,(H,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.96E+4	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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM30698 (2-(2,4-dimethoxyanilino)-7-keto-N-(tetrahydrofurfu...) Show SMILES COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1 Show InChI InChI=1S/C23H24N2O6/c1-28-16-7-8-19(21(12-16)29-2)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-20(14)31-23/h5-8,10-12,17,25H,3-4,9,13H2,1-2H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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 (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair