Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Acetylpolyamine amidohydrolase' AND taxid = 40837   

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
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438390 (CHEMBL2414000) Show SMILES NCCCNCCCCCC(=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	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438391 (CHEMBL2413999) Show SMILES NCCCNCCCCCC(=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)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438386 (CHEMBL2414004) Show SMILES NCCCNCCCCCS Show InChI InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438389 (CHEMBL2414001) Show SMILES CC(=O)SCC(=O)CCCCCNCCCN Show InChI InChI=1S/C12H24N2O2S/c1-11(15)17-10-12(16)6-3-2-4-8-14-9-5-7-13/h14H,2-10,13H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50121062 (9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...) Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa acetylpolyamine amidohydrolase assessed as substrate deacetylation using L-Lys(epsilon-acetyl)-coumarin as substrate p...				Bioorg Med Chem Lett 21: 5854-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.100 BindingDB Entry DOI: 10.7270/Q2KS6RZR
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50405937 (CHEMBL173782) Show SMILES CC(=O)CCCCCNCCCN Show InChI InChI=1S/C10H22N2O/c1-10(13)6-3-2-4-8-12-9-5-7-11/h12H,2-9,11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438384 (CHEMBL2414006) Show SMILES NCCCNCCCCCB(O)O Show InChI InChI=1S/C8H21BN2O2/c10-6-4-8-11-7-3-1-2-5-9(12)13/h11-13H,1-8,10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438388 (CHEMBL2414002) Show SMILES COCC(=O)CCCCCNCCCN Show InChI InChI=1S/C11H24N2O2/c1-15-10-11(14)6-3-2-4-8-13-9-5-7-12/h13H,2-10,12H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438393 (CHEMBL2414007) Show SMILES NCCCNCCCCCC(O)=O Show InChI InChI=1S/C9H20N2O2/c10-6-4-8-11-7-3-1-2-5-9(12)13/h11H,1-8,10H2,(H,12,13)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438387 (CHEMBL2414003) Show SMILES CC(=O)SCCCCCNCCCN Show InChI InChI=1S/C10H22N2OS/c1-10(13)14-9-4-2-3-7-12-8-5-6-11/h12H,2-9,11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair
Acetylpolyamine amidohydrolase (Mycoplana ramosa (Gram-negative bacterium))	BDBM50438385 (CHEMBL2414005) Show SMILES CS(=O)(=O)CCCCCNCCCN Show InChI InChI=1S/C9H22N2O2S/c1-14(12,13)9-4-2-3-7-11-8-5-6-10/h11H,2-10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay				Bioorg Med Chem 21: 4530-40 (2013) Article DOI: 10.1016/j.bmc.2013.05.045 BindingDB Entry DOI: 10.7270/Q2DN46FQ
					More data for this Ligand-Target Pair