Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3997   

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
Acetyl-CoA acetyltransferase/HMG-CoA reductase (Enterococcus faecalis)	BDBM42076 (4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C24H22ClN5O2/c1-13-20(23(31)28-26-13)22(21-14(2)27-29-24(21)32)17-12-30(19-10-6-4-8-16(17)19)11-15-7-3-5-9-18(15)25/h3-10,12,22H,11H2,1-2H3,(H2,26,28,31)(H2,27,29,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20R9MTT
					More data for this Ligand-Target Pair
Acetyl-CoA acetyltransferase/HMG-CoA reductase (Enterococcus faecalis)	BDBM42077 (4-({[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)th...) Show SMILES OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C26H19N3O4S/c30-22(27-19-12-10-17(11-13-19)26(31)32)15-34-25-20-14-18-8-4-5-9-21(18)33-24(20)28-23(29-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20R9MTT
					More data for this Ligand-Target Pair
Acetyl-CoA acetyltransferase/HMG-CoA reductase (Enterococcus faecalis)	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	1.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20R9MTT
					More data for this Ligand-Target Pair