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PubMed code 24225950

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217361
PNG
(Pep2-2 | TVFTSWEEYLLWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C85H116N16O22/c1-42(2)33-60(76(114)92-61(34-43(3)4)77(115)95-65(81(119)99-69(44(5)6)73(86)111)38-52-40-88-57-24-18-16-22-55(52)57)93-78(116)62(36-50-25-27-53(106)28-26-50)94-75(113)59(30-32-68(109)110)90-74(112)58(29-31-67(107)108)91-79(117)64(37-51-39-87-56-23-17-15-21-54(51)56)96-82(120)66(41-102)98-84(122)72(47(10)104)101-80(118)63(35-49-19-13-12-14-20-49)97-83(121)70(45(7)8)100-85(123)71(46(9)103)89-48(11)105/h12-28,39-40,42-47,58-66,69-72,87-88,102-104,106H,29-38,41H2,1-11H3,(H2,86,111)(H,89,105)(H,90,112)(H,91,117)(H,92,114)(H,93,116)(H,94,113)(H,95,115)(H,96,120)(H,97,121)(H,98,122)(H,99,119)(H,100,123)(H,101,118)(H,107,108)(H,109,110)/t46-,47-,58+,59+,60+,61+,62+,63+,64+,65+,66+,69+,70+,71+,72+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217366
PNG
(Pep2-8 | TVFTSWEEYLDWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C83H110N16O24/c1-40(2)31-57(74(114)94-62(36-66(109)110)77(117)92-61(79(119)97-67(41(3)4)71(84)111)35-49-38-86-54-22-16-14-20-52(49)54)90-75(115)58(33-47-23-25-50(104)26-24-47)91-73(113)56(28-30-65(107)108)88-72(112)55(27-29-64(105)106)89-76(116)60(34-48-37-85-53-21-15-13-19-51(48)53)93-80(120)63(39-100)96-82(122)70(44(8)102)99-78(118)59(32-46-17-11-10-12-18-46)95-81(121)68(42(5)6)98-83(123)69(43(7)101)87-45(9)103/h10-26,37-38,40-44,55-63,67-70,85-86,100-102,104H,27-36,39H2,1-9H3,(H2,84,111)(H,87,103)(H,88,112)(H,89,116)(H,90,115)(H,91,113)(H,92,117)(H,93,120)(H,94,114)(H,95,121)(H,96,122)(H,97,119)(H,98,123)(H,99,118)(H,105,106)(H,107,108)(H,109,110)/t43-,44-,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+,69+,70+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217362
PNG
(Pep2-2ΔT1 | VFTSWEEYLLWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C81H109N15O20/c1-41(2)32-58(73(108)88-59(33-42(3)4)74(109)91-63(78(113)95-67(43(5)6)70(82)105)37-50-39-84-55-23-17-15-21-53(50)55)89-75(110)60(35-48-24-26-51(100)27-25-48)90-72(107)57(29-31-66(103)104)86-71(106)56(28-30-65(101)102)87-76(111)62(36-49-38-83-54-22-16-14-20-52(49)54)92-79(114)64(40-97)94-81(116)69(45(9)98)96-77(112)61(34-47-18-12-11-13-19-47)93-80(115)68(44(7)8)85-46(10)99/h11-27,38-39,41-45,56-64,67-69,83-84,97-98,100H,28-37,40H2,1-10H3,(H2,82,105)(H,85,99)(H,86,106)(H,87,111)(H,88,108)(H,89,110)(H,90,107)(H,91,109)(H,92,114)(H,93,115)(H,94,116)(H,95,113)(H,96,112)(H,101,102)(H,103,104)/t45-,56+,57+,58+,59+,60+,61+,62+,63+,64+,67+,68+,69+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217363
PNG
(Pep2-2ΔV13 | TVFTSWEEYLLW)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C80H107N15O21/c1-40(2)31-58(72(108)87-57(69(81)105)35-48-37-82-53-21-15-13-19-51(48)53)88-73(109)59(32-41(3)4)89-74(110)60(34-47-23-25-50(100)26-24-47)90-71(107)56(28-30-65(103)104)85-70(106)55(27-29-64(101)102)86-75(111)62(36-49-38-83-54-22-16-14-20-52(49)54)91-77(113)63(39-96)93-79(115)68(44(8)98)95-76(112)61(33-46-17-11-10-12-18-46)92-78(114)66(42(5)6)94-80(116)67(43(7)97)84-45(9)99/h10-26,37-38,40-44,55-63,66-68,82-83,96-98,100H,27-36,39H2,1-9H3,(H2,81,105)(H,84,99)(H,85,106)(H,86,111)(H,87,108)(H,88,109)(H,89,110)(H,90,107)(H,91,113)(H,92,114)(H,93,115)(H,94,116)(H,95,112)(H,101,102)(H,103,104)/t43-,44-,55+,56+,57+,58+,59+,60+,61+,62+,63+,66+,67+,68+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217364
PNG
(Pep2-2ΔW12,V13 | TVFTSWEEYLL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C69H97N13O20/c1-34(2)27-48(59(70)92)75-62(95)49(28-35(3)4)76-63(96)50(30-41-19-21-43(87)22-20-41)77-61(94)47(24-26-55(90)91)73-60(93)46(23-25-54(88)89)74-64(97)52(31-42-32-71-45-18-14-13-17-44(42)45)78-66(99)53(33-83)80-68(101)58(38(8)85)82-65(98)51(29-40-15-11-10-12-16-40)79-67(100)56(36(5)6)81-69(102)57(37(7)84)72-39(9)86/h10-22,32,34-38,46-53,56-58,71,83-85,87H,23-31,33H2,1-9H3,(H2,70,92)(H,72,86)(H,73,93)(H,74,97)(H,75,95)(H,76,96)(H,77,94)(H,78,99)(H,79,100)(H,80,101)(H,81,102)(H,82,98)(H,88,89)(H,90,91)/t37-,38-,46+,47+,48+,49+,50+,51+,52+,53+,56+,57+,58+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217365
PNG
(Pep2-2ΔL11-V13 | TVFTSWEEYL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C63H86N12O19/c1-31(2)25-44(54(64)85)69-57(88)45(27-37-17-19-39(80)20-18-37)70-56(87)43(22-24-50(83)84)67-55(86)42(21-23-49(81)82)68-58(89)47(28-38-29-65-41-16-12-11-15-40(38)41)71-60(91)48(30-76)73-62(93)53(34(6)78)75-59(90)46(26-36-13-9-8-10-14-36)72-61(92)51(32(3)4)74-63(94)52(33(5)77)66-35(7)79/h8-20,29,31-34,42-48,51-53,65,76-78,80H,21-28,30H2,1-7H3,(H2,64,85)(H,66,79)(H,67,86)(H,68,89)(H,69,88)(H,70,87)(H,71,91)(H,72,92)(H,73,93)(H,74,94)(H,75,90)(H,81,82)(H,83,84)/t33-,34-,42+,43+,44+,45+,46+,47+,48+,51+,52+,53+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM217360
PNG
(Pep2 | VVFTSWQDYLFWV)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C88H115N17O20/c1-45(2)35-62(78(115)96-63(36-51-21-13-11-14-22-51)80(117)98-67(84(121)103-72(46(3)4)76(90)113)40-55-43-92-60-28-20-18-26-58(55)60)95-79(116)64(38-53-29-31-56(109)32-30-53)97-82(119)68(41-71(111)112)100-77(114)61(33-34-70(89)110)94-81(118)66(39-54-42-91-59-27-19-17-25-57(54)59)99-85(122)69(44-106)102-88(125)75(49(9)107)105-83(120)65(37-52-23-15-12-16-24-52)101-86(123)74(48(7)8)104-87(124)73(47(5)6)93-50(10)108/h11-32,42-43,45-49,61-69,72-75,91-92,106-107,109H,33-41,44H2,1-10H3,(H2,89,110)(H2,90,113)(H,93,108)(H,94,118)(H,95,116)(H,96,115)(H,97,119)(H,98,117)(H,99,122)(H,100,114)(H,101,123)(H,102,125)(H,103,121)(H,104,124)(H,105,120)(H,111,112)/t49-,61+,62+,63+,64+,65+,66+,67+,68+,69+,72+,73+,74+,75+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.77E+4n/an/an/an/an/an/a



Genentech, Inc.



Assay Description
For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture...


J Biol Chem 289: 942-55 (2014)


Article DOI: 10.1074/jbc.M113.514067
BindingDB Entry DOI: 10.7270/Q2R2107N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%