Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Homoisocitrate Dehydrogenase (HICDH)'   

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
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23215 (Homoisocitrate thia analogue, 3 | trisodium (2S,3S...) Show SMILES [H][C@](O)(C([O-])=O)[C@]([H])(SCC([O-])=O)C([O-])=O |r| Show InChI InChI=1S/C6H8O7S/c7-2(8)1-14-4(6(12)13)3(9)5(10)11/h3-4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t3-,4+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	97	-41.5	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 16: 3372-6 (2008) Article DOI: 10.1016/j.bmc.2007.12.002 BindingDB Entry DOI: 10.7270/Q2RX99D8
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23213 (Homoisocitrate oxa analogue, 2 | trisodium (2S,3R)...) Show SMILES [H][C@](O)(C([O-])=O)[C@]([H])(OCC([O-])=O)C([O-])=O |r| Show InChI InChI=1S/C6H8O8/c7-2(8)1-14-4(6(12)13)3(9)5(10)11/h3-4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3/t3-,4+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.00E+4	-29.6	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 16: 3372-6 (2008) Article DOI: 10.1016/j.bmc.2007.12.002 BindingDB Entry DOI: 10.7270/Q2RX99D8
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23216 (3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid | ...) Show SMILES OC(=O)CSCC(=O)C(O)=O Show InChI InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.20E+4	-29.1	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 16: 3372-6 (2008) Article DOI: 10.1016/j.bmc.2007.12.002 BindingDB Entry DOI: 10.7270/Q2RX99D8
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23220 ((1R,2Z)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2-/t6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.20E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23221 ((2S,3R)-2-ethenyl-3-hydroxybutanedioic acid | Viny...) Show SMILES [H][C@](O)(C(O)=O)[C@]([H])(C=C)C(O)=O |r| Show InChI InChI=1S/C6H8O5/c1-2-3(5(8)9)4(7)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t3-,4+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	8.80E+4	-23.4	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23220 ((1R,2Z)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2-/t6-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	-20.7	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23218 ((2R,3Z)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2-/t5-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	5.10E+5	-19.5	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23219 ((1R,2E)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2+/t6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.90E+5	-18.4	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase, mitochondrial (Saccharomyces cerevisiae)	BDBM23217 ((2R,3E)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2+/t5-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+6	-16.9	n/a	n/a	n/a	n/a	n/a	7.8	36
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23219 ((1R,2E)-1-hydroxypent-2-ene-1,2,5-tricarboxylic ac...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCC(O)=O)\C(O)=O |r| Show InChI InChI=1S/C8H10O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h2,6,11H,1,3H2,(H,9,10)(H,12,13)(H,14,15)/b4-2+/t6-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.10E+6	-14.5	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23217 ((2R,3E)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C/CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2+/t5-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	5.20E+6	-13.2	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair
Homoisocitrate dehydrogenase (Deinococcus radiodurans)	BDBM23218 ((2R,3Z)-2-hydroxy-3-(3-hydroxypropylidene)butanedi...) Show SMILES [H][C@](O)(C(O)=O)C(=C\CCO)\C(O)=O |r| Show InChI InChI=1S/C7H10O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h2,5,8-9H,1,3H2,(H,10,11)(H,12,13)/b4-2-/t5-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.53E+7	-10.5	n/a	n/a	n/a	n/a	n/a	7.8	28
Tokyo Institute of Technology					Assay Description Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data ...				Bioorg Med Chem 15: 1346-55 (2007) Article DOI: 10.1016/j.bmc.2006.11.008 BindingDB Entry DOI: 10.7270/Q2N87824
					More data for this Ligand-Target Pair