Compile Data Set for Download or QSAR

Found 18 hits of ic50 data for polymerid = 1866   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17871 ((1S)-1-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]-...) Show SMILES CSCC[C@H](N)c1nnc(SCc2ccccc2)[nH]1 |r| Show InChI InChI=1S/C13H18N4S2/c1-18-8-7-11(14)12-15-13(17-16-12)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43.7	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Mol Biol 332: 13-21 (2003) Article DOI: 10.1016/s0022-2836(03)00862-3 BindingDB Entry DOI: 10.7270/Q2C53J49
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17870 (1,2,4-triazole derivative. | 5-(benzylsulfanyl)-4H...) Show SMILES Nc1nnc(SCc2ccccc2)[nH]1 Show InChI InChI=1S/C9H10N4S/c10-8-11-9(13-12-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	599	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Mol Biol 332: 13-21 (2003) Article DOI: 10.1016/s0022-2836(03)00862-3 BindingDB Entry DOI: 10.7270/Q2C53J49
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17869 ((3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol ...) Show SMILES CCCC[C@H](N)C(=O)CNC1CC1 |r| Show InChI InChI=1S/C10H20N2O/c1-2-3-4-9(11)10(13)7-12-8-5-6-8/h8-9,12H,2-7,11H2,1H3/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Med Chem 47: 1325-8 (2004) Article DOI: 10.1021/jm034188j BindingDB Entry DOI: 10.7270/Q2GX48TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497527 (CHEMBL3337741) Show SMILES Cl.CN(C)CC1Cc2cc(Cl)ccc2C1=O Show InChI InChI=1S/C12H14ClNO.ClH/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15;/h3-4,6,9H,5,7H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497528 (CHEMBL3337742) Show SMILES Cl.CN(C)CC1Cc2cc(Br)ccc2C1=O Show InChI InChI=1S/C12H14BrNO.ClH/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15;/h3-4,6,9H,5,7H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497533 (CHEMBL3337746) Show SMILES Cc1ccc2C(=O)C(=C)Cc2c1 Show InChI InChI=1S/C11H10O/c1-7-3-4-10-9(5-7)6-8(2)11(10)12/h3-5H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497517 (CHEMBL3337739) Show SMILES Cl.CN(C)CC1Cc2ccc(C)cc2C1=O Show InChI InChI=1S/C13H17NO.ClH/c1-9-4-5-10-7-11(8-14(2)3)13(15)12(10)6-9;/h4-6,11H,7-8H2,1-3H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17868 ((2S)-2-amino-4-(methylsulfanyl)-1-(pyridin-2-yl)bu...) Show SMILES CSCC[C@H](N)C(=O)c1ccccn1 |r| Show InChI InChI=1S/C10H14N2OS/c1-14-7-5-8(11)10(13)9-4-2-3-6-12-9/h2-4,6,8H,5,7,11H2,1H3/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Med Chem 47: 1325-8 (2004) Article DOI: 10.1021/jm034188j BindingDB Entry DOI: 10.7270/Q2GX48TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497525 (CHEMBL3337744) Show SMILES Cl.COc1ccc2CC(CN(C)C)C(=O)c2c1 Show InChI InChI=1S/C13H17NO2.ClH/c1-14(2)8-10-6-9-4-5-11(16-3)7-12(9)13(10)15;/h4-5,7,10H,6,8H2,1-3H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497519 (CHEMBL3337745) Show SMILES Cl.COc1cc2CC(CN(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C14H19NO3.ClH/c1-15(2)8-10-5-9-6-12(17-3)13(18-4)7-11(9)14(10)16;/h6-7,10H,5,8H2,1-4H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497532 (CHEMBL3337751) Show SMILES COc1cc2CC(=C)C(=O)c2cc1OC Show InChI InChI=1S/C12H12O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-6H,1,4H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17867 ((2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-y...) Show SMILES CSCC[C@H](N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C8H12N2OS2/c1-12-4-2-6(9)7(11)8-10-3-5-13-8/h3,5-6H,2,4,9H2,1H3/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Med Chem 47: 1325-8 (2004) Article DOI: 10.1021/jm034188j BindingDB Entry DOI: 10.7270/Q2GX48TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497523 (CHEMBL3337736) Show SMILES Cl.O=C1C(CN2CCCCC2)Cc2ccccc12 Show InChI InChI=1S/C15H19NO.ClH/c17-15-13(11-16-8-4-1-5-9-16)10-12-6-2-3-7-14(12)15;/h2-3,6-7,13H,1,4-5,8-11H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497530 (CHEMBL3337638) Show SMILES Cl.CN(C)CC1Cc2ccccc2C1=O Show InChI InChI=1S/C12H15NO.ClH/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14;/h3-6,10H,7-8H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497518 (CHEMBL3337738) Show SMILES Cl.CN(C)CC1Cc2cc(C)ccc2C1=O Show InChI InChI=1S/C13H17NO.ClH/c1-9-4-5-12-10(6-9)7-11(13(12)15)8-14(2)3;/h4-6,11H,7-8H2,1-3H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497529 (CHEMBL3337743) Show SMILES Cl.COc1ccc2C(=O)C(CN(C)C)Cc2c1 Show InChI InChI=1S/C13H17NO2.ClH/c1-14(2)8-10-6-9-7-11(16-3)4-5-12(9)13(10)15;/h4-5,7,10H,6,8H2,1-3H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM50497526 (CHEMBL3337737) Show SMILES Cl.CN(C)CC1Cc2c(cccc2C(F)(F)F)C1=O Show InChI InChI=1S/C13H14F3NO.ClH/c1-17(2)7-8-6-10-9(12(8)18)4-3-5-11(10)13(14,15)16;/h3-5,8H,6-7H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM su...				Bioorg Med Chem Lett 24: 5310-4 (2014) Article DOI: 10.1016/j.bmcl.2014.09.047 BindingDB Entry DOI: 10.7270/Q2057JW8
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Staphylococcus aureus)	BDBM17872 (1,2,4-triazole derivative. | 3-(benzylsulfanyl)-4-...) Show SMILES Cn1cnnc1SCc1ccccc1 Show InChI InChI=1S/C10H11N3S/c1-13-8-11-12-10(13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	22
Morphochem AG					Assay Description The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...				J Mol Biol 332: 13-21 (2003) Article DOI: 10.1016/s0022-2836(03)00862-3 BindingDB Entry DOI: 10.7270/Q2C53J49
					More data for this Ligand-Target Pair