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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 = 'BDBM50296482'   
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))
BDBM50296482
PNG
(CHEMBL541769)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#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](=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/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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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)


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