Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'nam' and Initial = 'sh'   

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
Sortase family protein (Staphylococcus aureus)	BDBM50331609 (6-methoxy-1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]ind...) Show SMILES COc1ccc2[nH]c3c(CCN=C3c3ccccc3)c2c1 |c:11| Show InChI InChI=1S/C18H16N2O/c1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331604 (2-(2-methyl-1H-indol-3-yl)-2-oxo-N-phenylacetamide...) Show SMILES Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C17H14N2O2/c1-11-15(13-9-5-6-10-14(13)18-11)16(20)17(21)19-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50102183 ((1H-Indol-3-yl)-oxo-acetic acid | CHEMBL57285 | in...) Show SMILES OC(=O)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50206193 (1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3...) Show SMILES COc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:8.8| Show InChI InChI=1S/C18H18N2O/c1-21-13-6-4-5-12(11-13)17-18-15(9-10-19-17)14-7-2-3-8-16(14)20-18/h2-8,11,17,19-20H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276442 (CHEMBL459354 | hyrtiosin B) Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1 Show InChI InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331608 (1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole | CHEM...) Show SMILES C1Cc2c([nH]c3ccccc23)C(=N1)c1ccccc1 |c:13| Show InChI InChI=1S/C17H14N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,19H,10-11H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331606 (1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-...) Show SMILES Oc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1 Show InChI InChI=1S/C17H16N2O/c20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11/h1-7,10,16,18-20H,8-9H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331607 (6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,...) Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)c1ccccc1 Show InChI InChI=1S/C18H18N2O/c1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12/h2-8,11,17,19-20H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331605 (2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid | CHEM...) Show SMILES Cc1[nH]c2ccccc2c1C(=O)C(O)=O Show InChI InChI=1S/C11H9NO3/c1-6-9(10(13)11(14)15)7-4-2-3-5-8(7)12-6/h2-5,12H,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50331610 (1-(naphthalen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3...) Show SMILES C1Cc2c([nH]c3ccccc23)C(N1)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H18N2/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-10,13,20,22-23H,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50331603 (2-(1H-Indol-3-yl)-2-oxo-N-phenyl-acetamide | 2-(1H...) Show SMILES O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H12N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H,(H,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50331611 (1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3...) Show SMILES COc1ccc(cc1)C1NCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C18H18N2O/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276441 (5-hydroxyindole-3-carbaldehyde | CHEMBL506465) Show SMILES Oc1ccc2[nH]cc(C=O)c2c1 Show InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50276408 (1-carboxy-6-hydroxy-3,4-dihydro-beta-carboline | C...) Show SMILES OC(=O)C1=NCCc2c1[nH]c1ccc(O)cc21 |t:3| Show InChI InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Sortase A				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276440 (CHEMBL505766 | hyrtiosin A) Show SMILES OCC(=O)c1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276408 (1-carboxy-6-hydroxy-3,4-dihydro-beta-carboline | C...) Show SMILES OC(=O)C1=NCCc2c1[nH]c1ccc(O)cc21 |t:3| Show InChI InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 20: 6882-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.029 BindingDB Entry DOI: 10.7270/Q2M61KGZ
					More data for this Ligand-Target Pair