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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: Q15369   
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
Elongin-C


(Homo sapiens (Human))
BDBM50590279
PNG
(CHEMBL4740486)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)C(C)(C)C)cc1 |r|
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UniChem
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n/an/a 277n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50459880
PNG
(CHEMBL4226570)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:43|
Show InChI InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
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n/an/a 882n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50590278
PNG
(CHEMBL5196036)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)C(C)(C)C)cc1 |r|
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n/an/a 888n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50014097
PNG
(CHEMBL3260851)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1 |r|
Show InChI InChI=1S/C24H26N4O3S/c1-14-19(4-3-5-20(14)25)24(31)28-12-18(29)10-21(28)23(30)26-11-16-6-8-17(9-7-16)22-15(2)27-13-32-22/h3-9,13,18,21,29H,10-12,25H2,1-2H3,(H,26,30)/t18-,21+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Elongin-C


(Homo sapiens (Human))
BDBM50590276
PNG
(CHEMBL5176485)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
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n/an/a 1.04E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50459881
PNG
(CHEMBL4226376)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Show InChI InChI=1S/C57H70ClN7O10S/c1-36-29-48(62-45-18-16-44(58)17-19-45)47-30-43(15-20-49(47)65(36)38(3)66)40-11-13-42(14-12-40)54(69)59-21-22-72-23-24-73-25-26-74-27-28-75-34-51(68)63-53(57(4,5)6)56(71)64-33-46(67)31-50(64)55(70)60-32-39-7-9-41(10-8-39)52-37(2)61-35-76-52/h7-20,30,35-36,46,48,50,53,62,67H,21-29,31-34H2,1-6H3,(H,59,69)(H,60,70)(H,63,68)/t36-,46+,48+,50-,53+/m0/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50459878
PNG
(CHEMBL4227834)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r|
Show InChI InChI=1S/C53H62ClN7O8S/c1-32-25-44(58-41-18-16-40(54)17-19-41)43-26-39(15-20-45(43)61(32)34(3)62)36-11-13-38(14-12-36)50(65)55-21-22-68-23-24-69-30-47(64)59-49(53(4,5)6)52(67)60-29-42(63)27-46(60)51(66)56-28-35-7-9-37(10-8-35)48-33(2)57-31-70-48/h7-20,26,31-32,42,44,46,49,58,63H,21-25,27-30H2,1-6H3,(H,55,65)(H,56,66)(H,59,64)/t32-,42+,44+,46-,49+/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50590277
PNG
(CHEMBL5176799)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2[C@H](F)[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:44|
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n/an/a 3.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00215e
BindingDB Entry DOI: 10.7270/Q2CF9V3M
More data for this
Ligand-Target Pair
Elongin-C


(Homo sapiens (Human))
BDBM50446138
PNG
(CHEMBL3108881)
Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r|
Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi...


Bioorg Med Chem Lett 24: 2546-54 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.095
BindingDB Entry DOI: 10.7270/Q2FX7C05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)