Compile Data Set for Download or QSAR
Found 144 Enz. Inhib. hit(s) with Target = 'Thiosulfate sulfurtransferase'
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50012070(5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...)
Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O
Show InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
Affinity DataIC50: 60nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM81348(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
Affinity DataIC50: 120nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60918(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Affinity DataIC50: 280nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM26655(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
Affinity DataIC50: 330nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50523758(Phosphated riboflavin | Photrexa | RIBOFLAVIN 5'-P...)
Show SMILES O.O.[Na+].Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)c2cc1C
Show InChI InChI=1S/C17H21N4O9P.Na.2H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;2*1H2/q;+1;;/p-1/t11-,12+,14-;;;/m0.../s1
Affinity DataIC50: 380nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50105463(2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...)
Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
Affinity DataIC50: 830nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM24778(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM67454(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM71542((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Show SMILES COc1cc(NC(C)CCCN)c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50434369(METHYLENE BLUE CHLORIDE HYDRATE | Methylene Blue |...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50070942((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50523760(CHEMBL4448756)
Show SMILES [Na+].[Na+].[Na+].[Na+].COc1cc(ccc1\N=N\c1ccc2c(cc(c(N)c2c1O)S(O)(O)[O-])S(O)(O)[O-])-c1ccc(\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c1
Show InChI InChI=1S/C34H32N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-45,49-51H,35-36H2,1-2H3,(H,46,47,48)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50366944(Azovan Blue | Azovan sodium | EVANS BLUE)
Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50362895(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
Affinity DataIC50: 8.80E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50523756(ERYTHROSINE SODIUM)
Show SMILES [Na+].[Na+].[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3ccccc23)c1I
Show InChI InChI=1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;2*+1/p-2
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50132101(1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol | CHEMB...)
Show SMILES CC1=NCCc2c1[nH]c1cc(O)ccc21
Show InChI InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM23223(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM152157(US8987474, Hematin)
Show SMILES OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O
Show InChI InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50052802(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM60986(MLS001335996 | SMR000857330 | TANNIC ACID | cid_16...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
Affinity DataIC50: 3.90E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50451094(Ascorbyl Palmitate | Ascorbyl palmitate (E5) | E30...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Show InChI InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450012(CHEMBL4167333)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)27-14-3-1-13(2-4-14)23-26-18-11-15(5-8-20(18)36-23)28-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50140172(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
Affinity DataIC50: 5.60E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM26658(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50410532(4-NONYLPHENOL)
Show SMILES CCCCCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450010(CHEMBL4168023)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1
Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataIC50: 9.10E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50247883(CHEBI:28934 | Calciferol | Calciferol In Arach Oil...)
Show SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
Affinity DataIC50: 9.40E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450007(CHEMBL4169499)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C24H14Cl2F3N3O5S3/c25-18-7-6-16(12-17(18)24(27,28)29)39(33,34)32-15-5-8-20-19(11-15)30-23(37-20)13-1-3-14(4-2-13)31-40(35,36)22-10-9-21(26)38-22/h1-12,31-32H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450004(CHEMBL4160098)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C24H15ClF3N3O5S3/c25-21-10-11-22(37-21)39(34,35)31-17-8-9-20-19(13-17)29-23(36-20)14-4-6-16(7-5-14)30-38(32,33)18-3-1-2-15(12-18)24(26,27)28/h1-13,30-31H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450005(CHEMBL3975683)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1
Show InChI InChI=1S/C25H17Cl2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450008(CHEMBL4166077)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1
Show InChI InChI=1S/C23H14Cl3N3O5S3/c24-17-7-6-16(12-18(17)25)36(30,31)29-15-5-8-20-19(11-15)27-23(34-20)13-1-3-14(4-2-13)28-37(32,33)22-10-9-21(26)35-22/h1-12,28-29H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450003(CHEMBL4176697)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C24H15ClF3N3O5S3/c25-21-10-11-22(37-21)39(34,35)30-16-6-4-14(5-7-16)23-29-19-13-17(8-9-20(19)36-23)31-38(32,33)18-3-1-2-15(12-18)24(26,27)28/h1-13,30-31H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450009(CHEMBL4161583)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)28-15-5-8-20-18(11-15)26-23(36-20)13-1-3-14(4-2-13)27-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450011(CHEMBL4161487)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C24H14Cl2F3N3O5S3/c25-18-7-6-16(12-17(18)24(27,28)29)39(33,34)31-14-3-1-13(2-4-14)23-30-19-11-15(5-8-20(19)37-23)32-40(35,36)22-10-9-21(26)38-22/h1-12,31-32H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450001(CHEMBL4162794)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Show InChI InChI=1S/C21H13Cl2N3O5S4/c22-17-7-9-19(32-17)34(27,28)25-13-3-1-12(2-4-13)21-24-15-11-14(5-6-16(15)31-21)26-35(29,30)20-10-8-18(23)33-20/h1-11,25-26H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450006(CHEMBL3970551)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2o1
Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-1-5-21(13-17)42(37,38)35-19-9-7-16(8-10-19)25-34-23-15-20(11-12-24(23)41-25)36-43(39,40)22-6-2-4-18(14-22)27(31,32)33/h1-15,35-36H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50450013(CHEMBL3955935)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468055(CHEMBL4282354)
Show SMILES COc1ccccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H16N2O2S2/c1-25-18-8-4-2-6-16(18)20(24)22-14-10-12-15(13-11-14)26-21-23-17-7-3-5-9-19(17)27-21/h2-13H,1H3,(H,22,24)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468057(CHEMBL4281358)
Show SMILES Oc1c(Br)cccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C20H13BrN2O2S2/c21-15-5-3-4-14(18(15)24)19(25)22-12-8-10-13(11-9-12)26-20-23-16-6-1-2-7-17(16)27-20/h1-11,24H,(H,22,25)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM234300(2-Hydroxy-N-phenylbenzamide (1))
Show SMILES Oc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468058(CHEMBL1559759)
Show SMILES Clc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C13H10ClNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,(H,15,16)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50116705(CHEMBL460481)
Show SMILES Oc1ccccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,(H,15,17)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468069(CHEMBL4292251)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H10BrNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,(H,15,16)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468059(CHEMBL4284817)
Show SMILES COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H11BrClNO2/c1-19-13-6-5-9(15)7-12(13)14(18)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H,17,18)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50063753(CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468074(CHEMBL4284769)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1
Show InChI InChI=1S/C20H13ClN2O2S2/c21-14-11-12(22-19(25)13-5-1-3-7-16(13)24)9-10-17(14)26-20-23-15-6-2-4-8-18(15)27-20/h1-11,24H,(H,22,25)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50468060(CHEMBL1631668)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H8Br2ClNO2/c14-7-4-10(12(18)11(15)5-7)13(19)17-9-3-1-2-8(16)6-9/h1-6,18H,(H,17,19)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
Displayed 1 to 50 (of 144 total ) | Next | Last >>
Jump to: