Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50038777   

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
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	5.07E+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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276439 (5-hydroxy-1H-indole-3-carboxylic acid methyl ester...) Show SMILES COC(=O)c1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50204438 (6-hydroxy-3,4-dihydro-1-oxo-beta-carboline | 6-hyd...) Show SMILES Oc1ccc2[nH]c3c(CCNC3=O)c2c1 Show InChI InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.89E+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 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair