Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 6804   

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
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM152730 (7-Amino-N-hydroxypentanamide (6)) Show SMILES [NH3+]CCCCCCC(=O)NO Show InChI InChI=1S/C7H16N2O2/c8-6-4-2-1-3-5-7(10)9-11/h11H,1-6,8H2,(H,9,10)/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 250 nM APAH (∼50% Zn2+ occupancy), 150 μM substrate, and 0−250 μM inhibit...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM152729 (6-Amino-N-hydroxypentanamide (5)) Show SMILES [NH3+]CCCCCC(=O)NO Show InChI InChI=1S/C6H14N2O2/c7-5-3-1-2-4-6(9)8-10/h10H,1-5,7H2,(H,8,9)/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 250 nM APAH (∼50% Zn2+ occupancy), 150 μM substrate, and 0−250 μM inhibit...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM152731 (8-Amino-N-hydroxypentanamide (7)) Show SMILES [NH3+]CCCCCCCC(=O)NO Show InChI InChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)10-12/h12H,1-7,9H2,(H,10,11)/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 250 nM APAH (∼50% Zn2+ occupancy), 150 μM substrate, and 0−250 μM inhibit...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM152728 (5-Amino-N-hydroxypentanamide (4)) Show SMILES [NH3+]CCCCC(=O)NO Show InChI InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)7-9/h9H,1-4,6H2,(H,7,8)/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 250 nM APAH (∼50% Zn2+ occupancy), 150 μM substrate, and 0−250 μM inhibit...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152725 ((3-azaniumylpropyl)(7,7,7-trifluoro-6-oxoheptyl)az...) Show SMILES [NH3+]CCC[NH2+]CCCCCC(=O)C(F)(F)F Show InChI InChI=1S/C10H19F3N2O/c11-10(12,13)9(16)5-2-1-3-7-15-8-4-6-14/h15H,1-8,14H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152731 (8-Amino-N-hydroxypentanamide (7)) Show SMILES [NH3+]CCCCCCCC(=O)NO Show InChI InChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)10-12/h12H,1-7,9H2,(H,10,11)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152730 (7-Amino-N-hydroxypentanamide (6)) Show SMILES [NH3+]CCCCCCC(=O)NO Show InChI InChI=1S/C7H16N2O2/c8-6-4-2-1-3-5-7(10)9-11/h11H,1-6,8H2,(H,9,10)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152726 ((3-azaniumylpropyl)(5-sulfanylpentyl)azanium (2)) Show SMILES [NH3+]CCC[NH2+]CCCCCS Show InChI InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152727 ((3-azaniumylpropyl)[5-(hydroxycarbamoyl)pentyl]aza...) Show SMILES [NH3+]CCC[NH2+]CCCCCC(=O)NO Show InChI InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13)/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152729 (6-Amino-N-hydroxypentanamide (5)) Show SMILES [NH3+]CCCCCC(=O)NO Show InChI InChI=1S/C6H14N2O2/c7-5-3-1-2-4-6(9)8-10/h10H,1-5,7H2,(H,8,9)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152728 (5-Amino-N-hydroxypentanamide (4)) Show SMILES [NH3+]CCCCC(=O)NO Show InChI InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)7-9/h9H,1-4,6H2,(H,7,8)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	8.2	n/a
University of Pennsylvania					Assay Description Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 μM Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-...				Biochemistry 54: 4692-703 (2015) Article DOI: 10.1021/acs.biochem.5b00536 BindingDB Entry DOI: 10.7270/Q2FN14ZS
					More data for this Ligand-Target Pair