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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hypoxia-inducible factor 1-alpha' and Ligand = 'BDBM50296479'   
Target/Host
(Institution)
LigandTarget/Host
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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50296479
PNG
(CHEMBL562806)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1016/j.bmcl.2009.05.083
BindingDB Entry DOI: 10.7270/Q2DJ5FP3
More data for this
Ligand-Target Pair