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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Prohormone convertase 2' AND taxid = 9606   
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
Prohormone convertase 2


(Homo sapiens)
BDBM50446944
PNG
(CHEMBL3115771)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50446945
PNG
(CHEMBL3115770)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC\C=C\CN=C(N)N
Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50303776
PNG
(CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...)
Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C35H62N12O4/c1-4-5-6-7-8-9-10-15-28(48)45-27(14-12-21-43-35(40)41)32(50)47-29(23(2)3)33(51)46-26(13-11-20-42-34(38)39)31(49)44-22-24-16-18-25(19-17-24)30(36)37/h16-19,23,26-27,29H,4-15,20-22H2,1-3H3,(H3,36,37)(H,44,49)(H,45,48)(H,46,51)(H,47,50)(H4,38,39,42)(H4,40,41,43)/t26-,27-,29-/m0/s1
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55n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50303774
PNG
(CHEMBL566340 | phenylacetyl-Arg-Val-Arg-4-amidinob...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1
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312n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50303775
PNG
((S)-2-acetamido-N-((S)-1-((S)-1-(4-carbamimidoylbe...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H46N12O4/c1-15(2)21(39-24(42)20(37-16(3)40)7-5-13-35-27(32)33)25(43)38-19(6-4-12-34-26(30)31)23(41)36-14-17-8-10-18(11-9-17)22(28)29/h8-11,15,19-21H,4-7,12-14H2,1-3H3,(H3,28,29)(H,36,41)(H,37,40)(H,38,43)(H,39,42)(H4,30,31,34)(H4,32,33,35)/t19-,20-,21-/m0/s1
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Article
PubMed
1.39E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens)
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair