Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Hydroxyacylglutathione hydrolase, mitochondrial'   

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
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50126960 (CHEMBL3629116) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCNC(=O)CCNC(=O)CC(=O)NCCNC(=O)CC(=O)NCCC(=O)NCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C58H78Br2N14O26S2/c59-33-1-5-35(6-2-33)73(97)57(95)101-31-39(53(89)69-29-49(83)84)71-43(77)11-9-37(55(91)92)61-19-15-51(87)99-25-23-67-41(75)13-17-63-45(79)27-47(81)65-21-22-66-48(82)28-46(80)64-18-14-42(76)68-24-26-100-52(88)16-20-62-38(56(93)94)10-12-44(78)72-40(54(90)70-30-50(85)86)32-102-58(96)74(98)36-7-3-34(60)4-8-36/h1-8,37-40,61-62,97-98H,9-32H2,(H,63,79)(H,64,80)(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,89)(H,70,90)(H,71,77)(H,72,78)(H,83,84)(H,85,86)(H,91,92)(H,93,94)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50126961 (CHEMBL3629115) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C82H128Br2N12O33S2/c83-59-15-19-61(20-16-59)95(117)81(115)130-57-65(77(109)91-55-73(103)104)93-71(101)25-23-63(79(111)112)85-31-27-75(107)128-53-51-126-49-47-124-45-41-121-37-33-89-69(99)13-7-3-1-5-11-67(97)87-29-9-35-119-39-43-123-44-40-120-36-10-30-88-68(98)12-6-2-4-8-14-70(100)90-34-38-122-42-46-125-48-50-127-52-54-129-76(108)28-32-86-64(80(113)114)24-26-72(102)94-66(78(110)92-56-74(105)106)58-131-82(116)96(118)62-21-17-60(84)18-22-62/h15-22,63-66,85-86,117-118H,1-14,23-58H2,(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,109)(H,92,110)(H,93,101)(H,94,102)(H,103,104)(H,105,106)(H,111,112)(H,113,114)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039111 (S-(N-Hydroxy-N-(4-bromophenyl)carbamoyl)glutathion...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039108 (S-(N-Hydroxy-N-(4-chlorophenyl)carbamoyl)glutathio...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Rattus norvegicus)	BDBM50026371 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(4-nitro-...) Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H22N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat liver glyoxalase II				J Med Chem 28: 828-30 (1985) BindingDB Entry DOI: 10.7270/Q2M32TRS
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Rattus norvegicus)	BDBM50026368 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-nitro-...) Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1cccc(c1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H22N4O10S/c19-12(17(27)28)4-5-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-2-1-3-11(6-10)22(30)31/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat liver glyoxalase II				J Med Chem 28: 828-30 (1985) BindingDB Entry DOI: 10.7270/Q2M32TRS
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039113 (S-(N-Hydroxy-N-phenylcarbamoyl)glutathione) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H22N4O8S/c18-11(16(26)27)6-7-13(22)20-12(15(25)19-8-14(23)24)9-30-17(28)21(29)10-4-2-1-3-5-10/h1-5,11-12,29H,6-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constant for the inhibition of the hydrolysis of S-D-lactoylglutathione by glyoxalase II				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Rattus norvegicus)	BDBM50026370 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-nitro-...) Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccccc1[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H22N4O10S/c19-11(17(27)28)5-6-14(23)21-12(16(26)20-7-15(24)25)9-33-18(29)32-8-10-3-1-2-4-13(10)22(30)31/h1-4,11-12H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat liver glyoxalase II				J Med Chem 28: 828-30 (1985) BindingDB Entry DOI: 10.7270/Q2M32TRS
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Rattus norvegicus)	BDBM50026369 (2-Amino-4-[2-benzyloxycarbonylsulfanyl-1-(carboxym...) Show SMILES NC(CCC(=O)NC(CSC(=O)OCc1ccccc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H23N3O8S/c19-12(17(26)27)6-7-14(22)21-13(16(25)20-8-15(23)24)10-30-18(28)29-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat liver glyoxalase II				J Med Chem 28: 828-30 (1985) BindingDB Entry DOI: 10.7270/Q2M32TRS
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Rattus norvegicus)	BDBM50028202 ((S)-2-Amino-4-[(R)-2-benzyloxycarbonylsulfanyl-1-(...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)OCc1ccccc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C18H23N3O8S/c19-12(17(26)27)6-7-14(22)21-13(16(25)20-8-15(23)24)10-30-18(28)29-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo inhibitory activity of the compound against glyoxalase II in rat liver				J Med Chem 26: 1784-5 (1984) BindingDB Entry DOI: 10.7270/Q2SJ1JNS
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039110 (S-(N-Methyl-N-hydroxycarbomyl)ethylglutathione) Show SMILES CN(O)C(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C7H12N2O6S/c1-9(15)7(14)16-2-3(5(10)11)4(8)6(12)13/h3-4,15H,2,8H2,1H3,(H,10,11)(H,12,13)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50582857 (CHEMBL5091922) Show SMILES S=c1[nH]nc(-c2ccccc2)n1CCSCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Glyoxalase-2 assessed as reduction of substrate level using S-D-lactoylglutathione as substrate by spectrophotometric...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113873 BindingDB Entry DOI: 10.7270/Q2B56PM2
					More data for this Ligand-Target Pair