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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P10274   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gag-Pro polyprotein


(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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UniProtKB/SwissProt

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Article
PubMed
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


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(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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Article
PubMed
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


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(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 |r|
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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Article
PubMed
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


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(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 |r|
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
PDB
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UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair