Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 4379   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
MEP2 (Saccharomyces cerevisiae)	BDBM66024 ((7-chloranylquinolin-4-yl) azepane-1-carboxylate |...) Show SMILES Clc1ccc2c(OC(=O)N3CCCCCC3)ccnc2c1 Show InChI InChI=1S/C16H17ClN2O2/c17-12-5-6-13-14(11-12)18-8-7-15(13)21-16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM61009 ((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...) Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM50864 (1-Butylamino-3-methyl-3H-naphtho[1,2,3-de]quinolin...) Show SMILES CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23 Show InChI InChI=1S/C21H20N2O2/c1-3-4-12-22-19-18-13-8-5-6-9-14(13)20(24)15-10-7-11-16(17(15)18)23(2)21(19)25/h5-11,22H,3-4,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM44460 (1-Amino-4-bromo-anthraquinone | 1-amino-4-bromo-9,...) Show SMILES Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12 Show InChI InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM66023 (2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...) Show SMILES CCCCCCCCn1sccc1=O Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1 Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(13(2)11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM66003 ((5E)-1-(4-fluorobenzyl)-5-(2-thenylidene)barbituri...) Show SMILES Fc1ccc(CN2C(=O)NC(=O)\C(=C/c3cccs3)C2=O)cc1 Show InChI InChI=1S/C16H11FN2O3S/c17-11-5-3-10(4-6-11)9-19-15(21)13(14(20)18-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20,22)/b13-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM57870 ((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...) Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM66010 (4-N-(3-fluorophenyl)-2-N-methyl-5-nitropyrimidine-...) Show SMILES CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O Show InChI InChI=1S/C11H11FN6O2/c1-14-11-16-9(13)8(18(19)20)10(17-11)15-7-4-2-3-6(12)5-7/h2-5H,1H3,(H4,13,14,15,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM66018 (5-[[5-(4-chlorophenyl)-2-furanyl]methylidene]-1,3-...) Show SMILES Clc1ccc(cc1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 Show InChI InChI=1S/C15H9ClN2O4/c16-9-3-1-8(2-4-9)12-6-5-10(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM65993 (2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...) Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+	PDB KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair