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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B'   
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
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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n/an/a 1.30n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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n/an/a 1.5n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395740
PNG
(CHEMBL2164454)
Show SMILES CCOC(=O)C(CCCCCN)CSC(C)=O
Show InChI InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395739
PNG
(CHEMBL2164455)
Show SMILES CCOC(=O)C(CS)CCCCCN
Show InChI InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201429
PNG
(2-(1-carbamimidoylpiperidin-3-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCCC(C1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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n/an/a 3.20n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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n/an/a 3.20n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395741
PNG
(CHEMBL2164453)
Show SMILES NCCCCCC(CS)C(O)=O
Show InChI InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)
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n/an/a 3.60n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase B


(Sus scrofa)
BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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n/an/a 3.70n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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n/an/a>3.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395729
PNG
(CHEMBL2164451)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)
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n/an/a>3.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395728
PNG
(CHEMBL2164463)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O
Show InChI InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase B


(Sus scrofa)
BDBM50395736
PNG
(CHEMBL2164458)
Show SMILES CCOC(=O)C(CCCCCN)C[Se]C(=O)CC
Show InChI InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3
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n/an/a 9.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201435
PNG
(2-(mercaptomethyl)-3-(piperidin-4-yl)propanoic aci...)
Show SMILES OC(=O)C(CS)CC1CCNCC1
Show InChI InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)
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n/an/a 29n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201433
PNG
(2-(1-carbamimidoylpiperidin-4-yl)-3-mercaptopropan...)
Show SMILES NC(=N)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)
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n/an/a 45n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201428
PNG
(3-mercapto-2-(piperidin-4-yl)propanoic acid | CHEM...)
Show SMILES OC(=O)C(CS)C1CCNCC1
Show InChI InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)
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n/an/a 195n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201430
PNG
(2-(4-carbamimidoylphenyl)-3-mercaptopropanoic acid...)
Show SMILES NC(=N)c1ccc(cc1)C(CS)C(O)=O
Show InChI InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)
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n/an/a 845n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201432
PNG
(2-(1-(1-iminoethyl)piperidin-4-yl)-3-mercaptopropa...)
Show SMILES CC(=N)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395738
PNG
(CHEMBL2164456)
Show SMILES CC(=O)SCC(CCCCCN)C(O)=O
Show InChI InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395733
PNG
(CHEMBL2164461)
Show SMILES NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395734
PNG
(CHEMBL2164460)
Show SMILES NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES NC(N)=Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES NC(N)=Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201437
PNG
(2-(mercaptomethyl)-3-(piperidin-3-yl)propanoic aci...)
Show SMILES OC(=O)C(CS)CC1CCCNC1
Show InChI InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201437
PNG
(2-(mercaptomethyl)-3-(piperidin-3-yl)propanoic aci...)
Show SMILES OC(=O)C(CS)CC1CCCNC1
Show InChI InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201439
PNG
(2-(2-chloro-5-guanidinophenyl)-3-mercaptopropanoic...)
Show SMILES NC(N)=Nc1ccc(Cl)c(c1)C(CS)C(O)=O
Show InChI InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)
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n/an/a 4.65E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201436
PNG
(2-(1-(2-aminoacetyl)piperidin-4-yl)-3-mercaptoprop...)
Show SMILES NCC(=O)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201434
PNG
(3-mercapto-2-(piperidin-3-yl)propanoic acid | CHEM...)
Show SMILES OC(=O)C(CS)C1CCCNC1
Show InChI InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201431
PNG
(2-(3-aminophenyl)-3-mercaptopropanoic acid | CHEMB...)
Show SMILES Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201434
PNG
(3-mercapto-2-(piperidin-3-yl)propanoic acid | CHEM...)
Show SMILES OC(=O)C(CS)C1CCCNC1
Show InChI InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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0.420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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206n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM81910
PNG
(1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl...)
Show SMILES CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)
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580n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296411
PNG
(1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-ox...)
Show SMILES Oc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H11ClN2O3S/c17-11-7-5-10(6-8-11)14(21)9-23-16-19-18-15(22-16)12-3-1-2-4-13(12)20/h1-8,20H,9H2
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1.00E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296413
PNG
(CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...)
Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
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1.20E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM81911
PNG
(methyl 2-(3-furan-2-ylmethyl)-3-((8-methyl-2-oxo-1...)
Show SMILES COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
Show InChI InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)
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1.20E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296415
PNG
(4-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-N-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C20H16ClN3O3S3/c21-18-6-2-1-4-15(18)13-29-20-24-23-19(27-20)14-7-9-17(10-8-14)30(25,26)22-12-16-5-3-11-28-16/h1-11,22H,12-13H2
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1.40E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM81906
PNG
(2-(5-(naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


Citation and Details
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296414
PNG
(CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...)
Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1
Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)
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MMDB

UniProtKB/TrEMBL

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3.60E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


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Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM81905
PNG
(1-(3,4-dihydroisoquinolin-1(1H)-yl)-2-(5-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1
Show InChI InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona



Assay Description
The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif...


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Ligand-Target Pair
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