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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50006885   
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
Major capsid protein L1


(Human papillomavirus type 16)
BDBM50089219
PNG
(CHEMBL3577826)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H124N20O21/c1-42(2)33-53(97-76(117)60-25-18-32-99(60)77(118)59(38-47-21-13-10-14-22-47)98-70(111)51(26-28-61(82)100)90-75(116)58(40-65(105)106)96-72(113)54(34-43(3)4)92-66(107)48(81)39-64(103)104)67(108)87-41-63(102)88-49(24-17-31-86-79(84)85)68(109)89-50(23-15-16-30-80)69(110)95-57(37-46-19-11-9-12-20-46)74(115)94-56(36-45(7)8)73(114)93-55(35-44(5)6)71(112)91-52(78(119)120)27-29-62(83)101/h9-14,19-22,42-45,48-60H,15-18,23-41,80-81H2,1-8H3,(H2,82,100)(H2,83,101)(H,87,108)(H,88,102)(H,89,109)(H,90,116)(H,91,112)(H,92,107)(H,93,114)(H,94,115)(H,95,110)(H,96,113)(H,97,117)(H,98,111)(H,103,104)(H,105,106)(H,119,120)(H4,84,85,86)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 600n/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged HPV16 major capsid protein L1 using CY3-labeled compound by FRET assay


ACS Med Chem Lett 6: 381-5 (2015)


Article DOI: 10.1021/ml500392y
BindingDB Entry DOI: 10.7270/Q2TX3H4H
More data for this
Ligand-Target Pair