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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50536784'   
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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50536784
PNG
(CHEMBL4552580)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C97H156N26O29/c1-45(2)36-60(82(137)106-57(24-18-32-104-97(101)102)81(136)117-74(51(11)125)91(146)115-66(96(151)152)42-72(131)132)110-85(140)64(40-55-22-16-15-17-23-55)112-80(135)59(29-31-71(100)130)107-89(144)73(50(10)124)118-86(141)63(39-48(7)8)111-83(138)62(38-47(5)6)113-87(142)67-25-19-33-121(67)93(148)65(41-56-43-103-44-105-56)114-84(139)61(37-46(3)4)109-79(134)58(28-30-70(99)129)108-90(145)75(52(12)126)119-88(143)68-26-20-34-122(68)94(149)69-27-21-35-123(69)95(150)77(54(14)128)120-92(147)76(53(13)127)116-78(133)49(9)98/h15-17,22-23,43-54,57-69,73-77,124-128H,18-21,24-42,98H2,1-14H3,(H2,99,129)(H2,100,130)(H,103,105)(H,106,137)(H,107,144)(H,108,145)(H,109,134)(H,110,140)(H,111,138)(H,112,135)(H,113,142)(H,114,139)(H,115,146)(H,116,133)(H,117,136)(H,118,141)(H,119,143)(H,120,147)(H,131,132)(H,151,152)(H4,101,102,104)/t49-,50+,51+,52+,53+,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-,75-,76-,77-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 80n/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-labeled NBM131 from human PPARalpha ligand binding domain expressed in human HepG2 cells by fluorescence polarization assay

Bioorg Med Chem Lett 26: 4157-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.067
BindingDB Entry DOI: 10.7270/Q2W66Q9R
More data for this
Ligand-Target Pair