Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 4497   

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
Large T antigen (Simian virus 40)	BDBM76092 (4-[1-(4-hydroxy-3-isopropyl-phenyl)-1-methyl-ethyl...) Show SMILES CC(C)c1cc(ccc1O)C(C)(C)c1ccc(O)c(c1)C(C)C Show InChI InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM36880 (2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...) Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM76095 (4-(4-hydroxyphenoxy)phenol | 4-(4-oxidanylphenoxy)...) Show SMILES Oc1ccc(Oc2ccc(O)cc2)cc1 Show InChI InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM76094 (4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol | ...) Show SMILES Oc1ccc(Sc2ccc(O)cc2O)c(O)c1 Show InChI InChI=1S/C12H10O4S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,13-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM76093 (4-(4-hydroxybenzyl)phenol | 4-[(4-hydroxyphenyl)me...) Show SMILES Oc1ccc(Cc2ccc(O)cc2)cc1 Show InChI InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	7.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25X27C2
					More data for this Ligand-Target Pair