Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'S-formylglutathione hydrolase'   

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
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069665 ((E)-2-Acetoxy-3-{[(S)-1-((S)-2-{(S)-2-[4-(4-chloro...) Show SMILES COC(=O)C(\OC(C)=O)=C(/NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C34H40ClN5O11S/c1-18(2)27(28(34(47)50-6)51-21(5)41)38-32(45)26-8-7-17-40(26)33(46)20(4)37-29(42)19(3)36-30(43)22-9-11-23(12-10-22)31(44)39-52(48,49)25-15-13-24(35)14-16-25/h9-16,18-20,26H,7-8,17H2,1-6H3,(H,36,43)(H,37,42)(H,38,45)(H,39,44)/b28-27+/t19-,20-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description pA2 value towards endothelin receptor A was determined as functional ETA antagonism				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069665 ((E)-2-Acetoxy-3-{[(S)-1-((S)-2-{(S)-2-[4-(4-chloro...) Show SMILES COC(=O)C(\OC(C)=O)=C(/NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C34H40ClN5O11S/c1-18(2)27(28(34(47)50-6)51-21(5)41)38-32(45)26-8-7-17-40(26)33(46)20(4)37-29(42)19(3)36-30(43)22-9-11-23(12-10-22)31(44)39-52(48,49)25-15-13-24(35)14-16-25/h9-16,18-20,26H,7-8,17H2,1-6H3,(H,36,43)(H,37,42)(H,38,45)(H,39,44)/b28-27+/t19-,20-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 10 nM				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069664 ((E)-2-Acetoxy-3-[((S)-1-{(S)-2-[(S)-2-(3-methoxyca...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(=O)OC Show InChI InChI=1S/C25H38N4O10/c1-13(2)20(21(25(36)38-7)39-16(5)30)28-23(34)17-9-8-12-29(17)24(35)15(4)27-22(33)14(3)26-18(31)10-11-19(32)37-6/h13-15,17H,8-12H2,1-7H3,(H,26,31)(H,27,33)(H,28,34)/b21-20+/t14-,15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 9 uM				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069664 ((E)-2-Acetoxy-3-[((S)-1-{(S)-2-[(S)-2-(3-methoxyca...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(=O)OC Show InChI InChI=1S/C25H38N4O10/c1-13(2)20(21(25(36)38-7)39-16(5)30)28-23(34)17-9-8-12-29(17)24(35)15(4)27-22(33)14(3)26-18(31)10-11-19(32)37-6/h13-15,17H,8-12H2,1-7H3,(H,26,31)(H,27,33)(H,28,34)/b21-20+/t14-,15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description pA2 value towards endothelin receptor A was determined as functional ETA antagonism				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Homo sapiens)	BDBM50543567 (CHEMBL4635246) Show SMILES Oc1ccc(Cl)cc1C1=NN(C(C1)c1ccccc1)c1ccccn1 |t:9| Show InChI InChI=1S/C20H16ClN3O/c21-15-9-10-19(25)16(12-15)17-13-18(14-6-2-1-3-7-14)24(23-17)20-8-4-5-11-22-20/h1-12,18,25H,13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Binding affinity to human ESD expressed in HEK293T cells assessed as dissociation rate constant				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127150 BindingDB Entry DOI: 10.7270/Q2930XRG
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Homo sapiens)	BDBM50543567 (CHEMBL4635246) Show SMILES Oc1ccc(Cl)cc1C1=NN(C(C1)c1ccccc1)c1ccccn1 |t:9| Show InChI InChI=1S/C20H16ClN3O/c21-15-9-10-19(25)16(12-15)17-13-18(14-6-2-1-3-7-14)24(23-17)20-8-4-5-11-22-20/h1-12,18,25H,13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Binding affinity to human ESD expressed in HEK293T cells assessed as dissociation constant				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127150 BindingDB Entry DOI: 10.7270/Q2930XRG
					More data for this Ligand-Target Pair