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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Core antigen' AND taxid = 10407   
Target
(Institution)
LigandTarget
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
Core antigen


(Hepatitis B virus)
BDBM50371196
PNG
(CHEMBL236749)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C45H57N9O11/c1-3-25(2)38(45(64)65)54-42(61)34(21-37(47)57)51-44(63)36(24-56)53-41(60)33(19-27-14-8-5-9-15-27)49-40(59)32(18-26-12-6-4-7-13-26)50-43(62)35(23-55)52-39(58)30(46)20-28-22-48-31-17-11-10-16-29(28)31/h4-17,22,25,30,32-36,38,48,55-56H,3,18-21,23-24,46H2,1-2H3,(H2,47,57)(H,49,59)(H,50,62)(H,51,63)(H,52,58)(H,53,60)(H,54,61)(H,64,65)/t25-,30-,32-,33-,34-,35-,36-,38-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.85E+4n/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Binding affinity to HBcAg


Citation and Details
More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50371195
PNG
(CHEMBL395636)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C56H101N21O14S2/c1-30(2)22-39(47(83)67-27-44(80)70-36(13-10-18-64-55(59)60)48(84)73-38(16-21-93-7)50(86)71-35(12-8-9-17-57)46(82)66-26-43(79)69-32(5)54(90)91)75-51(87)40(23-31(3)4)76-53(89)42(28-78)77-49(85)37(14-11-19-65-56(61)62)72-52(88)41(24-33-25-63-29-68-33)74-45(81)34(58)15-20-92-6/h25,29-32,34-42,78H,8-24,26-28,57-58H2,1-7H3,(H,63,68)(H,66,82)(H,67,83)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,84)(H,74,81)(H,75,87)(H,76,89)(H,77,85)(H,90,91)(H4,59,60,64)(H4,61,62,65)/t32-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 7.94E+4n/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Binding affinity to HBcAg


Citation and Details
More data for this
Ligand-Target Pair