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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50004990   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50158808
PNG
(CHEMBL408166 | Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H111N17O15S/c1-15-34(13)47(57(89)75-44(31(7)8)54(86)70-39(24-29(3)4)52(84)71-40(27-78)50(82)66-25-42(80)69-38(59(91)92)20-17-18-22-61)76-51(83)37(21-19-23-65-60(63)64)68-41(79)26-67-53(85)43(30(5)6)73-58(90)48(35(14)16-2)77-56(88)46(33(11)12)74-55(87)45(32(9)10)72-49(81)36(62)28-93/h29-40,43-48,78,93H,15-28,61-62H2,1-14H3,(H,66,82)(H,67,85)(H,68,79)(H,69,80)(H,70,86)(H,71,84)(H,72,81)(H,73,90)(H,74,87)(H,75,89)(H,76,83)(H,77,88)(H,91,92)(H4,63,64,65)/t34-,35-,36-,37-,38-,39-,40-,43-,44-,45-,46-,47-,48-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C NS4A protease


J Med Chem 48: 1-20 (2005)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50158824
PNG
(CHEMBL438893 | Lys-Gly-Ser-Leu-Val-Ile-Arg-Gly-Val...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H123N19O16S/c1-15-38(13)52(84-62(97)50(36(9)10)81-56(91)43(28-33(3)4)78-57(92)44(31-86)75-46(87)29-73-54(89)40(69)22-17-19-25-67)63(98)76-41(24-21-27-72-66(70)71)55(90)74-30-47(88)80-48(34(5)6)60(95)85-53(39(14)16-2)64(99)83-51(37(11)12)61(96)82-49(35(7)8)59(94)79-45(32-102)58(93)77-42(65(100)101)23-18-20-26-68/h33-45,48-53,86,102H,15-32,67-69H2,1-14H3,(H,73,89)(H,74,90)(H,75,87)(H,76,98)(H,77,93)(H,78,92)(H,79,94)(H,80,88)(H,81,91)(H,82,96)(H,83,99)(H,84,97)(H,85,95)(H,100,101)(H4,70,71,72)/t38-,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS4A active site


J Med Chem 48: 1-20 (2005)

More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50158836
PNG
(CHEMBL361380 | Ser-Leu-Val-Ile-Arg-Gly-Val-Ile-Val)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C44H82N12O11/c1-13-25(11)34(55-40(63)32(23(7)8)53-38(61)29(18-21(3)4)51-36(59)27(45)20-57)41(64)50-28(16-15-17-48-44(46)47)37(60)49-19-30(58)52-31(22(5)6)39(62)56-35(26(12)14-2)42(65)54-33(24(9)10)43(66)67/h21-29,31-35,57H,13-20,45H2,1-12H3,(H,49,60)(H,50,64)(H,51,59)(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,31-,32-,33-,34-,35-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS4A active site


J Med Chem 48: 1-20 (2005)

More data for this
Ligand-Target Pair