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Compile Data Set for Download or QSAR

Found 12 hits of ki data for polymerid = 4909   
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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296480
PNG
((4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-car...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C102H157N25O35/c1-14-51(10)81(101(162)127-34-19-23-73(127)100(161)111-54(13)85(146)117-69(43-77(135)136)95(156)124-72(46-80(141)142)98(159)125-71(45-79(139)140)97(158)122-67(40-55-20-16-15-17-21-55)94(155)114-60(28-30-74(104)130)88(149)119-65(38-49(6)7)91(152)112-59(82(105)143)22-18-33-108-102(106)107)126-99(160)68(41-56-24-26-57(129)27-25-56)121-89(150)62(32-35-128)113-83(144)52(11)110-90(151)63(36-47(2)3)116-84(145)53(12)109-87(148)61(29-31-75(131)132)115-92(153)66(39-50(8)9)120-96(157)70(44-78(137)138)123-93(154)64(37-48(4)5)118-86(147)58(103)42-76(133)134/h15-17,20-21,24-27,47-54,58-73,81,128-129H,14,18-19,22-23,28-46,103H2,1-13H3,(H2,104,130)(H2,105,143)(H,109,148)(H,110,151)(H,111,161)(H,112,152)(H,113,144)(H,114,155)(H,115,153)(H,116,145)(H,117,146)(H,118,147)(H,119,149)(H,120,157)(H,121,150)(H,122,158)(H,123,154)(H,124,156)(H,125,159)(H,126,160)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H4,106,107,108)/t51-,52+,53+,54+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,81+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296473
PNG
((4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-car...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C103H157N25O35/c1-14-51(10)82(102(163)127-33-19-23-73(127)99(160)111-53(12)85(146)117-69(42-78(136)137)94(155)123-72(45-81(142)143)97(158)124-71(44-80(140)141)96(157)121-67(38-55-20-16-15-17-21-55)93(154)114-61(28-30-75(105)131)88(149)119-65(36-49(6)7)90(151)113-60(83(106)144)22-18-32-109-103(107)108)126-98(159)68(39-56-24-26-57(129)27-25-56)125-100(161)74-40-58(130)46-128(74)101(162)54(13)112-89(150)63(34-47(2)3)116-84(145)52(11)110-87(148)62(29-31-76(132)133)115-91(152)66(37-50(8)9)120-95(156)70(43-79(138)139)122-92(153)64(35-48(4)5)118-86(147)59(104)41-77(134)135/h15-17,20-21,24-27,47-54,58-74,82,129-130H,14,18-19,22-23,28-46,104H2,1-13H3,(H2,105,131)(H2,106,144)(H,110,148)(H,111,160)(H,112,150)(H,113,151)(H,114,154)(H,115,152)(H,116,145)(H,117,146)(H,118,147)(H,119,149)(H,120,156)(H,121,157)(H,122,153)(H,123,155)(H,124,158)(H,125,161)(H,126,159)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,107,108,109)/t51-,52+,53+,54+,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,82+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296481
PNG
((4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-car...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C103H156FN25O34/c1-14-51(10)82(102(163)128-33-19-23-73(128)99(160)112-53(12)85(146)118-69(42-78(136)137)94(155)124-72(45-81(142)143)97(158)125-71(44-80(140)141)96(157)122-67(38-55-20-16-15-17-21-55)93(154)115-61(28-30-75(106)131)88(149)120-65(36-49(6)7)90(151)114-60(83(107)144)22-18-32-110-103(108)109)127-98(159)68(39-56-24-26-58(130)27-25-56)126-100(161)74-40-57(104)46-129(74)101(162)54(13)113-89(150)63(34-47(2)3)117-84(145)52(11)111-87(148)62(29-31-76(132)133)116-91(152)66(37-50(8)9)121-95(156)70(43-79(138)139)123-92(153)64(35-48(4)5)119-86(147)59(105)41-77(134)135/h15-17,20-21,24-27,47-54,57,59-74,82,130H,14,18-19,22-23,28-46,105H2,1-13H3,(H2,106,131)(H2,107,144)(H,111,148)(H,112,160)(H,113,150)(H,114,151)(H,115,154)(H,116,152)(H,117,145)(H,118,146)(H,119,147)(H,120,149)(H,121,156)(H,122,157)(H,123,153)(H,124,155)(H,125,158)(H,126,161)(H,127,159)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,110)/t51-,52+,53+,54+,57-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,82+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296477
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C102H156N26O35/c1-14-50(10)81(101(163)128-33-19-23-72(128)100(162)112-53(13)85(147)118-68(42-77(136)137)95(157)125-71(45-80(142)143)98(160)126-70(44-79(140)141)97(159)122-65(38-54-20-16-15-17-21-54)93(155)114-59(28-30-73(104)130)88(150)120-63(36-48(6)7)90(152)113-58(82(106)144)22-18-32-109-102(107)108)127-99(161)66(39-55-24-26-56(129)27-25-55)123-94(156)67(41-74(105)131)117-84(146)52(12)111-89(151)61(34-46(2)3)116-83(145)51(11)110-87(149)60(29-31-75(132)133)115-91(153)64(37-49(8)9)121-96(158)69(43-78(138)139)124-92(154)62(35-47(4)5)119-86(148)57(103)40-76(134)135/h15-17,20-21,24-27,46-53,57-72,81,129H,14,18-19,22-23,28-45,103H2,1-13H3,(H2,104,130)(H2,105,131)(H2,106,144)(H,110,149)(H,111,151)(H,112,162)(H,113,152)(H,114,155)(H,115,153)(H,116,145)(H,117,146)(H,118,147)(H,119,148)(H,120,150)(H,121,158)(H,122,159)(H,123,156)(H,124,154)(H,125,157)(H,126,160)(H,127,161)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,107,108,109)/t50-,51+,52+,53+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,81+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296478
PNG
((3S,6S,9S,12S,15S,18S,21S,24S,27S)-27-amino-3-((S)...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C102H155N25O36/c1-14-50(10)81(101(163)127-33-19-23-72(127)100(162)111-53(13)85(147)117-68(42-77(136)137)95(157)124-71(45-80(142)143)98(160)125-70(44-79(140)141)97(159)121-65(38-54-20-16-15-17-21-54)93(155)113-59(28-30-73(104)129)88(150)119-63(36-48(6)7)90(152)112-58(82(105)144)22-18-32-108-102(106)107)126-99(161)66(39-55-24-26-56(128)27-25-55)122-94(156)67(41-76(134)135)116-84(146)52(12)110-89(151)61(34-46(2)3)115-83(145)51(11)109-87(149)60(29-31-74(130)131)114-91(153)64(37-49(8)9)120-96(158)69(43-78(138)139)123-92(154)62(35-47(4)5)118-86(148)57(103)40-75(132)133/h15-17,20-21,24-27,46-53,57-72,81,128H,14,18-19,22-23,28-45,103H2,1-13H3,(H2,104,129)(H2,105,144)(H,109,149)(H,110,151)(H,111,162)(H,112,152)(H,113,155)(H,114,153)(H,115,145)(H,116,146)(H,117,147)(H,118,148)(H,119,150)(H,120,158)(H,121,159)(H,122,156)(H,123,154)(H,124,157)(H,125,160)(H,126,161)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,106,107,108)/t50-,51+,52+,53+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,81+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296476
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C103H159N25O34/c1-16-52(12)82(102(162)128-35-21-25-73(128)100(160)112-54(14)85(145)117-69(43-77(135)136)95(155)123-72(46-80(141)142)98(158)124-71(45-79(139)140)97(157)121-67(40-56-22-18-17-19-23-56)94(154)114-61(30-32-74(105)130)89(149)119-65(38-49(6)7)91(151)113-60(83(106)143)24-20-34-109-103(107)108)127-99(159)68(41-57-26-28-58(129)29-27-57)125-101(161)81(51(10)11)126-86(146)55(15)111-90(150)63(36-47(2)3)116-84(144)53(13)110-88(148)62(31-33-75(131)132)115-92(152)66(39-50(8)9)120-96(156)70(44-78(137)138)122-93(153)64(37-48(4)5)118-87(147)59(104)42-76(133)134/h17-19,22-23,26-29,47-55,59-73,81-82,129H,16,20-21,24-25,30-46,104H2,1-15H3,(H2,105,130)(H2,106,143)(H,110,148)(H,111,150)(H,112,160)(H,113,151)(H,114,154)(H,115,152)(H,116,144)(H,117,145)(H,118,147)(H,119,149)(H,120,156)(H,121,157)(H,122,153)(H,123,155)(H,124,158)(H,125,161)(H,126,146)(H,127,159)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H4,107,108,109)/t52-,53+,54+,55+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,81+,82+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296479
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C102H157N25O35/c1-15-50(10)80(101(162)127-34-20-24-72(127)99(160)111-52(12)84(145)116-68(42-76(135)136)94(155)122-71(45-79(141)142)97(158)123-70(44-78(139)140)96(157)120-66(39-55-21-17-16-18-22-55)93(154)113-60(29-31-73(104)130)88(149)118-64(37-48(6)7)90(151)112-59(82(105)143)23-19-33-108-102(106)107)125-98(159)67(40-56-25-27-57(129)28-26-56)124-100(161)81(54(14)128)126-85(146)53(13)110-89(150)62(35-46(2)3)115-83(144)51(11)109-87(148)61(30-32-74(131)132)114-91(152)65(38-49(8)9)119-95(156)69(43-77(137)138)121-92(153)63(36-47(4)5)117-86(147)58(103)41-75(133)134/h16-18,21-22,25-28,46-54,58-72,80-81,128-129H,15,19-20,23-24,29-45,103H2,1-14H3,(H2,104,130)(H2,105,143)(H,109,148)(H,110,150)(H,111,160)(H,112,151)(H,113,154)(H,114,152)(H,115,144)(H,116,145)(H,117,147)(H,118,149)(H,119,156)(H,120,157)(H,121,153)(H,122,155)(H,123,158)(H,124,161)(H,125,159)(H,126,146)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H4,106,107,108)/t50-,51+,52+,53+,54+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,80+,81+/m1/s1
PDB

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UniProtKB/SwissProt

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UniChem
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PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296475
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C104H161N25O34/c1-16-52(11)82(127-87(147)56(15)112-91(151)64(37-48(3)4)117-85(145)54(13)111-89(149)63(32-34-76(132)133)116-93(153)67(40-51(9)10)121-97(157)71(45-79(138)139)123-94(154)65(38-49(5)6)119-88(148)60(105)43-77(134)135)102(162)126-69(42-58-27-29-59(130)30-28-58)100(160)128-83(53(12)17-2)103(163)129-36-22-26-74(129)101(161)113-55(14)86(146)118-70(44-78(136)137)96(156)124-73(47-81(142)143)99(159)125-72(46-80(140)141)98(158)122-68(41-57-23-19-18-20-24-57)95(155)115-62(31-33-75(106)131)90(150)120-66(39-50(7)8)92(152)114-61(84(107)144)25-21-35-110-104(108)109/h18-20,23-24,27-30,48-56,60-74,82-83,130H,16-17,21-22,25-26,31-47,105H2,1-15H3,(H2,106,131)(H2,107,144)(H,111,149)(H,112,151)(H,113,161)(H,114,152)(H,115,155)(H,116,153)(H,117,145)(H,118,146)(H,119,148)(H,120,150)(H,121,157)(H,122,158)(H,123,154)(H,124,156)(H,125,159)(H,126,162)(H,127,147)(H,128,160)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,110)/t52-,53-,54+,55+,56+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,82+,83+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
5.00E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296474
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C104H161N25O34/c1-16-53(12)83(103(163)129-35-21-25-75(129)102(162)113-56(15)87(147)119-71(44-79(136)137)97(157)126-74(47-82(142)143)100(160)127-73(46-81(140)141)99(159)123-69(41-57-22-18-17-19-23-57)96(156)115-62(30-32-76(106)131)90(150)121-67(39-51(8)9)92(152)114-61(84(107)144)24-20-34-110-104(108)109)128-101(161)70(42-58-26-28-59(130)29-27-58)124-94(154)65(37-49(4)5)118-86(146)55(14)112-91(151)64(36-48(2)3)117-85(145)54(13)111-89(149)63(31-33-77(132)133)116-93(153)68(40-52(10)11)122-98(158)72(45-80(138)139)125-95(155)66(38-50(6)7)120-88(148)60(105)43-78(134)135/h17-19,22-23,26-29,48-56,60-75,83,130H,16,20-21,24-25,30-47,105H2,1-15H3,(H2,106,131)(H2,107,144)(H,111,149)(H,112,151)(H,113,162)(H,114,152)(H,115,156)(H,116,153)(H,117,145)(H,118,146)(H,119,147)(H,120,148)(H,121,150)(H,122,158)(H,123,159)(H,124,154)(H,125,155)(H,126,157)(H,127,160)(H,128,161)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,110)/t53-,54+,55+,56+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,83+/m1/s1
PDB

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UniProtKB/SwissProt

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UniChem
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5.80E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296482
PNG
((4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-car...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C104H159N25O34/c1-14-53(10)83(103(163)129-37-21-26-75(129)100(160)112-55(12)86(146)118-70(45-79(136)137)95(155)124-73(48-82(142)143)98(158)125-72(47-81(140)141)97(157)122-68(42-57-22-16-15-17-23-57)94(154)115-62(31-33-76(106)131)89(149)120-66(40-51(6)7)91(151)114-61(84(107)144)24-20-35-110-104(108)109)127-99(159)69(43-58-27-29-59(130)30-28-58)126-101(161)74-25-18-19-36-128(74)102(162)56(13)113-90(150)64(38-49(2)3)117-85(145)54(11)111-88(148)63(32-34-77(132)133)116-92(152)67(41-52(8)9)121-96(156)71(46-80(138)139)123-93(153)65(39-50(4)5)119-87(147)60(105)44-78(134)135/h15-17,22-23,27-30,49-56,60-75,83,130H,14,18-21,24-26,31-48,105H2,1-13H3,(H2,106,131)(H2,107,144)(H,111,148)(H,112,160)(H,113,150)(H,114,151)(H,115,154)(H,116,152)(H,117,145)(H,118,146)(H,119,147)(H,120,149)(H,121,156)(H,122,157)(H,123,153)(H,124,155)(H,125,158)(H,126,161)(H,127,159)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,110)/t53-,54+,55+,56+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,83+/m1/s1
PDB

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UniProtKB/SwissProt

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7.70E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296483
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-amino-1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C102H158N26O34/c1-14-51(10)81(101(162)128-35-19-23-73(128)100(161)112-54(13)85(146)118-69(43-77(135)136)95(156)125-72(46-80(141)142)98(159)126-71(45-79(139)140)97(158)123-67(40-55-20-16-15-17-21-55)94(155)115-60(28-30-74(105)130)88(149)120-65(38-49(6)7)91(152)113-59(82(106)143)22-18-34-109-102(107)108)127-99(160)68(41-56-24-26-57(129)27-25-56)122-89(150)62(32-33-103)114-83(144)52(11)111-90(151)63(36-47(2)3)117-84(145)53(12)110-87(148)61(29-31-75(131)132)116-92(153)66(39-50(8)9)121-96(157)70(44-78(137)138)124-93(154)64(37-48(4)5)119-86(147)58(104)42-76(133)134/h15-17,20-21,24-27,47-54,58-73,81,129H,14,18-19,22-23,28-46,103-104H2,1-13H3,(H2,105,130)(H2,106,143)(H,110,148)(H,111,151)(H,112,161)(H,113,152)(H,114,144)(H,115,155)(H,116,153)(H,117,145)(H,118,146)(H,119,147)(H,120,149)(H,121,157)(H,122,150)(H,123,158)(H,124,154)(H,125,156)(H,126,159)(H,127,160)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H4,107,108,109)/t51-,52+,53+,54+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,81+/m1/s1
PDB

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UniProtKB/SwissProt

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1.09E+5n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296472
PNG
((3S,6S,9S,12S,15S)-3-amino-15-((S)-1-((S)-1-((S)-1...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C103H157N25O34/c1-14-52(10)82(102(162)128-36-20-24-73(128)99(159)111-54(12)85(145)117-69(44-78(135)136)94(154)123-72(47-81(141)142)97(157)124-71(46-80(139)140)96(156)121-67(41-56-21-16-15-17-22-56)93(153)114-61(30-32-75(105)130)88(148)119-65(39-50(6)7)90(150)113-60(83(106)143)23-18-34-109-103(107)108)126-98(158)68(42-57-26-28-58(129)29-27-57)125-100(160)74-25-19-35-127(74)101(161)55(13)112-89(149)63(37-48(2)3)116-84(144)53(11)110-87(147)62(31-33-76(131)132)115-91(151)66(40-51(8)9)120-95(155)70(45-79(137)138)122-92(152)64(38-49(4)5)118-86(146)59(104)43-77(133)134/h15-17,21-22,26-29,48-55,59-74,82,129H,14,18-20,23-25,30-47,104H2,1-13H3,(H2,105,130)(H2,106,143)(H,110,147)(H,111,159)(H,112,149)(H,113,150)(H,114,153)(H,115,151)(H,116,144)(H,117,145)(H,118,146)(H,119,148)(H,120,155)(H,121,156)(H,122,152)(H,123,154)(H,124,157)(H,125,160)(H,126,158)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H4,107,108,109)/t52-,53+,54+,55+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,82+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ...


Bioorg Med Chem Lett 19: 4403-5 (2009)

More data for this
Ligand-Target Pair