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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Human T-cell leukemia virus type I protease' AND taxid = 11926   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50155805
PNG
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50155805
PNG
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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1.46E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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3.65E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371707
PNG
(CHEMBL272710 | KNI-10221)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C43H62N8O9S/c1-9-24(2)31(37(56)47-28(36(45)55)20-21-30(44)53)49-40(59)35-43(7,8)61-23-51(35)41(60)33(54)29(22-26-16-12-10-13-17-26)48-39(58)34(42(4,5)6)50-38(57)32(46-25(3)52)27-18-14-11-15-19-27/h10-19,24,28-29,31-35,54H,9,20-23H2,1-8H3,(H2,44,53)(H2,45,55)(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,57)/t24-,28-,29-,31-,32-,33-,34+,35-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371728
PNG
(CHEMBL271706 | KNI-10166)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C41H67N7O8S2/c1-11-23(4)30(43-26(7)49)38(54)46-31(24(5)12-2)37(53)45-29(21-27-17-15-14-16-18-27)33(50)40(56)48-22-58-41(8,9)34(48)39(55)47-32(25(6)13-3)36(52)44-28(35(42)51)19-20-57-10/h14-18,23-25,28-34,50H,11-13,19-22H2,1-10H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,47,55)/t23-,24-,25-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371720
PNG
(CHEMBL272280 | KNI-10192)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H67N7O8S/c1-10-26(4)34(47-29(7)53)42(58)50-35(27(5)11-2)40(56)48-32(23-30-19-15-13-16-20-30)37(54)44(60)52-25-61-45(8,9)38(52)43(59)51-36(28(6)12-3)41(57)49-33(39(46)55)24-31-21-17-14-18-22-31/h13-22,26-28,32-38,54H,10-12,23-25H2,1-9H3,(H2,46,55)(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,51,59)/t26-,27-,28-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371718
PNG
(CHEMBL271878 | KNI-10220)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C43H63N7O8S2/c1-10-25(2)31(37(54)46-29(36(44)53)21-22-59-9)48-40(57)35-43(7,8)60-24-50(35)41(58)33(52)30(23-27-17-13-11-14-18-27)47-39(56)34(42(4,5)6)49-38(55)32(45-26(3)51)28-19-15-12-16-20-28/h11-20,25,29-35,52H,10,21-24H2,1-9H3,(H2,44,53)(H,45,51)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t25-,29-,30-,31-,32-,33-,34+,35-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371725
PNG
(CHEMBL403182 | KNI-10199)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C43H63N7O8S2/c1-9-25(3)32(48-40(56)34(45-27(5)51)29-19-15-12-16-20-29)39(55)47-31(23-28-17-13-11-14-18-28)35(52)42(58)50-24-60-43(6,7)36(50)41(57)49-33(26(4)10-2)38(54)46-30(37(44)53)21-22-59-8/h11-20,25-26,30-36,52H,9-10,21-24H2,1-8H3,(H2,44,53)(H,45,51)(H,46,54)(H,47,55)(H,48,56)(H,49,57)/t25-,26-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371706
PNG
(CHEMBL404702)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCc1ccccc1C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C40H51N5O6S/c1-25-16-14-15-21-29(25)23-41-37(50)34-40(6,7)52-24-45(34)38(51)32(47)30(22-27-17-10-8-11-18-27)43-36(49)33(39(3,4)5)44-35(48)31(42-26(2)46)28-19-12-9-13-20-28/h8-21,30-34,47H,22-24H2,1-7H3,(H,41,50)(H,42,46)(H,43,49)(H,44,48)/t30-,31-,32-,33+,34?/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50242888
PNG
((R)-3-((2S,3S)-3-((S)-2-((S)-2-acetamido-2-phenyla...)
Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H51N5O6S/c1-22(2)20-37-33(46)30-36(7,8)48-21-41(30)34(47)28(43)26(19-24-15-11-9-12-16-24)39-32(45)29(35(4,5)6)40-31(44)27(38-23(3)42)25-17-13-10-14-18-25/h9-18,22,26-30,43H,19-21H2,1-8H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30+/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371712
PNG
(CHEMBL256022 | KNI-10600)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C37H53N5O6S/c1-23(43)39-27(25-18-14-11-15-19-25)31(45)41-29(36(5,6)7)32(46)40-26(20-24-16-12-10-13-17-24)28(44)34(48)42-22-49-37(8,9)30(42)33(47)38-21-35(2,3)4/h10-19,26-30,44H,20-22H2,1-9H3,(H,38,47)(H,39,43)(H,40,46)(H,41,45)/t26-,27-,28-,29+,30?/m0/s1
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n/an/a 113n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371721
PNG
(CHEMBL403770 | KNI-10197)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(N)=O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8S2/c1-9-25(3)32(45-27(5)51)39(55)48-33(26(4)10-2)38(54)47-31(23-28-17-13-11-14-18-28)35(52)42(58)50-24-60-43(6,7)36(50)41(57)49-34(29-19-15-12-16-20-29)40(56)46-30(37(44)53)21-22-59-8/h11-20,25-26,30-36,52H,9-10,21-24H2,1-8H3,(H2,44,53)(H,45,51)(H,46,56)(H,47,54)(H,48,55)(H,49,57)/t25-,26-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371715
PNG
(CHEMBL256587 | KNI-10496)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCC=C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C35H47N5O6S/c1-8-19-36-32(45)29-35(6,7)47-21-40(29)33(46)27(42)25(20-23-15-11-9-12-16-23)38-31(44)28(34(3,4)5)39-30(43)26(37-22(2)41)24-17-13-10-14-18-24/h8-18,25-29,42H,1,19-21H2,2-7H3,(H,36,45)(H,37,41)(H,38,44)(H,39,43)/t25-,26-,27-,28+,29?/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371705
PNG
(CHEMBL401718 | KNI-10455)
Show SMILES CC(=C)CNC(=O)C1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H49N5O6S/c1-22(2)20-37-33(46)30-36(7,8)48-21-41(30)34(47)28(43)26(19-24-15-11-9-12-16-24)39-32(45)29(35(4,5)6)40-31(44)27(38-23(3)42)25-17-13-10-14-18-25/h9-18,26-30,43H,1,19-21H2,2-8H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371717
PNG
(CHEMBL404836 | KNI-10247)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C38H54N6O7S/c1-9-22(2)27(32(39)47)42-35(50)31-38(7,8)52-21-44(31)36(51)29(46)26(20-24-16-12-10-13-17-24)41-34(49)30(37(4,5)6)43-33(48)28(40-23(3)45)25-18-14-11-15-19-25/h10-19,22,26-31,46H,9,20-21H2,1-8H3,(H2,39,47)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t22-,26-,27-,28-,29-,30+,31-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371724
PNG
(CHEMBL272920 | KNI-10194)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C41H67N7O8S2/c1-12-23(3)29(43-25(5)49)36(53)47-32(40(6,7)8)37(54)45-28(21-26-17-15-14-16-18-26)31(50)39(56)48-22-58-41(9,10)33(48)38(55)46-30(24(4)13-2)35(52)44-27(34(42)51)19-20-57-11/h14-18,23-24,27-33,50H,12-13,19-22H2,1-11H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,54)(H,46,55)(H,47,53)/t23-,24-,27-,28-,29-,30-,31-,32+,33-/m0/s1
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n/an/a 145n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371713
PNG
(CHEMBL271454 | KNI-10592)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCC1CC1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C36H49N5O6S/c1-22(42)38-27(25-15-11-8-12-16-25)31(44)40-29(35(2,3)4)32(45)39-26(19-23-13-9-7-10-14-23)28(43)34(47)41-21-48-36(5,6)30(41)33(46)37-20-24-17-18-24/h7-16,24,26-30,43H,17-21H2,1-6H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30?/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371729
PNG
(CHEMBL436816)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37-,38+/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50227057
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((2S,3S)-3-((S)-2-((S)-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C46H69N11O11S/c1-25(2)36(55-41(62)30(15-16-35(47)58)51-39(60)29-13-9-18-49-29)44(65)53-32(21-27-11-7-6-8-12-27)38(59)45(66)57-19-10-14-34(57)42(63)56-37(26(3)4)43(64)52-31(17-20-69-5)40(61)54-33(46(67)68)22-28-23-48-24-50-28/h6-8,11-12,23-26,29-34,36-38,49,59H,9-10,13-22H2,1-5H3,(H2,47,58)(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)/t29-,30-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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n/an/a 159n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371719
PNG
(CHEMBL256385 | KNI-10191)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H66N8O9S/c1-10-22(4)30(44-25(7)50)38(56)47-31(23(5)11-2)37(55)46-28(20-26-16-14-13-15-17-26)33(52)40(58)49-21-59-41(8,9)34(49)39(57)48-32(24(6)12-3)36(54)45-27(35(43)53)18-19-29(42)51/h13-17,22-24,27-28,30-34,52H,10-12,18-21H2,1-9H3,(H2,42,51)(H2,43,53)(H,44,50)(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t22-,23-,24-,27-,28-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 159n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371708
PNG
(CHEMBL257647 | KNI-10193)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C39H63N7O8S/c1-11-21(4)28(42-25(8)47)36(52)44-30(23(6)13-3)35(51)43-27(19-26-17-15-14-16-18-26)31(48)38(54)46-20-55-39(9,10)32(46)37(53)45-29(22(5)12-2)34(50)41-24(7)33(40)49/h14-18,21-24,27-32,48H,11-13,19-20H2,1-10H3,(H2,40,49)(H,41,50)(H,42,47)(H,43,51)(H,44,52)(H,45,53)/t21-,22-,23-,24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371723
PNG
(CHEMBL401814 | KNI-10188)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C41H67N7O8S2/c1-11-23(4)30(43-26(7)49)38(54)46-31(24(5)12-2)37(53)45-29(21-27-17-15-14-16-18-27)33(50)40(56)48-22-58-41(8,9)34(48)39(55)47-32(25(6)13-3)36(52)44-28(35(42)51)19-20-57-10/h14-18,23-25,28-34,50H,11-13,19-22H2,1-10H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,47,55)/t23-,24-,25-,28-,29+,30-,31-,32-,33-,34-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371722
PNG
(CHEMBL402525 | KNI-10196)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C41H67N7O8S2/c1-12-23(3)29(43-25(5)49)36(53)46-30(24(4)13-2)35(52)45-28(21-26-17-15-14-16-18-26)31(50)39(56)48-22-58-41(9,10)33(48)38(55)47-32(40(6,7)8)37(54)44-27(34(42)51)19-20-57-11/h14-18,23-24,27-33,50H,12-13,19-22H2,1-11H3,(H2,42,51)(H,43,49)(H,44,54)(H,45,52)(H,46,53)(H,47,55)/t23-,24-,27-,28-,29-,30-,31-,32+,33-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371714
PNG
(CHEMBL256588 | KNI-10502)
Show SMILES CCCNC(=O)C1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49N5O6S/c1-8-19-36-32(45)29-35(6,7)47-21-40(29)33(46)27(42)25(20-23-15-11-9-12-16-23)38-31(44)28(34(3,4)5)39-30(43)26(37-22(2)41)24-17-13-10-14-18-24/h9-18,25-29,42H,8,19-21H2,1-7H3,(H,36,45)(H,37,41)(H,38,44)(H,39,43)/t25-,26-,27-,28+,29?/m0/s1
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n/an/a 193n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371710
PNG
(CHEMBL256386 | KNI-10198)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C41H67N7O8S2/c1-12-23(3)29(46-37(54)32(40(6,7)8)43-25(5)49)36(53)45-28(21-26-17-15-14-16-18-26)31(50)39(56)48-22-58-41(9,10)33(48)38(55)47-30(24(4)13-2)35(52)44-27(34(42)51)19-20-57-11/h14-18,23-24,27-33,50H,12-13,19-22H2,1-11H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,47,55)/t23-,24-,27-,28-,29-,30-,31-,32+,33-/m0/s1
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n/an/a 201n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371726
PNG
(CHEMBL257649 | KNI-10168)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C36H58N6O7S/c1-10-20(4)26(31(37)45)40-34(48)30-36(8,9)50-19-42(30)35(49)29(44)25(18-24-16-14-13-15-17-24)39-32(46)28(22(6)12-3)41-33(47)27(21(5)11-2)38-23(7)43/h13-17,20-22,25-30,44H,10-12,18-19H2,1-9H3,(H2,37,45)(H,38,43)(H,39,46)(H,40,48)(H,41,47)/t20-,21-,22-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 249n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371709
PNG
(CHEMBL272494 | KNI-10195)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8S2/c1-9-25(3)32(45-27(5)51)39(55)49-34(29-19-15-12-16-20-29)40(56)47-31(23-28-17-13-11-14-18-28)35(52)42(58)50-24-60-43(6,7)36(50)41(57)48-33(26(4)10-2)38(54)46-30(37(44)53)21-22-59-8/h11-20,25-26,30-36,52H,9-10,21-24H2,1-8H3,(H2,44,53)(H,45,51)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t25-,26-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371711
PNG
(CHEMBL233649 | KNI-10127)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C38H60N8O9S2/c1-20(2)28(44-33(51)25(41-22(5)47)14-15-27(39)48)35(53)43-26(18-23-12-10-9-11-13-23)30(49)37(55)46-19-57-38(6,7)31(46)36(54)45-29(21(3)4)34(52)42-24(32(40)50)16-17-56-8/h9-13,20-21,24-26,28-31,49H,14-19H2,1-8H3,(H2,39,48)(H2,40,50)(H,41,47)(H,42,52)(H,43,53)(H,44,51)(H,45,54)/t24-,25-,26-,28-,29-,30-,31+/m0/s1
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n/an/a 353n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


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Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371716
PNG
(CHEMBL258157 | KNI-10401)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCc1cccc(I)c1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C39H48IN5O6S/c1-24(46)42-30(27-17-11-8-12-18-27)34(48)44-32(38(2,3)4)35(49)43-29(21-25-14-9-7-10-15-25)31(47)37(51)45-23-52-39(5,6)33(45)36(50)41-22-26-16-13-19-28(40)20-26/h7-20,29-33,47H,21-23H2,1-6H3,(H,41,50)(H,42,46)(H,43,49)(H,44,48)/t29-,30-,31-,32+,33?/m0/s1
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n/an/a 473n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50371727
PNG
(CHEMBL430094 | KNI-10167)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C35H56N6O7S2/c1-9-20(3)26(37-22(5)42)31(45)39-25(18-23-14-12-11-13-15-23)28(43)34(48)41-19-50-35(6,7)29(41)33(47)40-27(21(4)10-2)32(46)38-24(30(36)44)16-17-49-8/h11-15,20-21,24-29,43H,9-10,16-19H2,1-8H3,(H2,36,44)(H,37,42)(H,38,46)(H,39,45)(H,40,47)/t20-,21-,24-,25-,26-,27-,28-,29-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Citation and Details
More data for this
Ligand-Target Pair