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PubMed code 19386397

Compile data set for download or QSAR
Found 76 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
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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 500n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296412
PNG
(CHEMBL560871 | DL-guanidinoethylmercaptosuccinic a...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#16]-[#6](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)
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 1.10E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		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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 1.20E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		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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 2.10E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
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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 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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		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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 4.50E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296416
PNG
(CHEMBL563744 | methyl 2-(4-benzyl-5-(2-hydroxyphen...)
Show SMILES COC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-24-16(23)12-25-18-20-19-17(14-9-5-6-10-15(14)22)21(18)11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3
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 4.90E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296417
PNG
(CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
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 7.40E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		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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 7.50E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296418
PNG
(2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...)
Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12
Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)
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 9.00E+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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM39191
PNG
(2-[4-Furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1
Show InChI InChI=1S/C19H15N3O3S2/c23-14-7-5-13(6-8-14)18-20-21-19(22(18)11-15-3-1-9-25-15)27-12-16(24)17-4-2-10-26-17/h1-10,23H,11-12H2
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 9.10E+3n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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 1.00E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296420
PNG
(CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...)
Show SMILES CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
Show InChI InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3
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 1.08E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296421
PNG
(2-(4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-y...)
Show SMILES NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1
Show InChI InChI=1S/C15H14N4OS2/c16-13(20)10-22-15-18-17-14(12-7-4-8-21-12)19(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,20)
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 1.16E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296422
PNG
(2-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-y...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-12-2-4-13(5-3-12)16(22)11-25-18-21-20-17(24-18)10-23-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3
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 1.17E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296420
PNG
(CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...)
Show SMILES CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
Show InChI InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3
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 1.19E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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 1.19E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296422
PNG
(2-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-y...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-12-2-4-13(5-3-12)16(22)11-25-18-21-20-17(24-18)10-23-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3
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 1.20E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296423
PNG
(CHEMBL551672 | N-(2-chlorobenzyl)-N-(furan-2-ylmet...)
Show SMILES Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl
Show InChI InChI=1S/C20H18ClN5O3S/c1-15-11-18(8-9-20(15)26-14-22-23-24-26)30(27,28)25(13-17-6-4-10-29-17)12-16-5-2-3-7-19(16)21/h2-11,14H,12-13H2,1H3
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 1.26E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296424
PNG
(1-(2-fluorophenyl)-2-(5-o-tolyl-1,3,4-oxadiazol-2-...)
Show SMILES Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-6-2-3-7-12(11)16-19-20-17(22-16)23-10-15(21)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3
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 1.47E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296418
PNG
(2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...)
Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12
Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)
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 1.50E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296423
PNG
(CHEMBL551672 | N-(2-chlorobenzyl)-N-(furan-2-ylmet...)
Show SMILES Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl
Show InChI InChI=1S/C20H18ClN5O3S/c1-15-11-18(8-9-20(15)26-14-22-23-24-26)30(27,28)25(13-17-6-4-10-29-17)12-16-5-2-3-7-19(16)21/h2-11,14H,12-13H2,1H3
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 1.66E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296425
PNG
(2-(pyridin-4-ylmethylamino)-1-(4-tosylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CNCc1ccncc1
Show InChI InChI=1S/C19H24N4O3S/c1-16-2-4-18(5-3-16)27(25,26)23-12-10-22(11-13-23)19(24)15-21-14-17-6-8-20-9-7-17/h2-9,21H,10-15H2,1H3
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 1.80E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296426
PNG
(CHEMBL563098 | N1-benzyl-N4-((tetrahydrofuran-2-yl...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1cccs1
Show InChI InChI=1S/C23H26N2O5S3/c26-32(27,24-16-19-6-2-1-3-7-19)22-10-12-23(13-11-22)33(28,29)25(17-20-8-4-14-30-20)18-21-9-5-15-31-21/h1-3,5-7,9-13,15,20,24H,4,8,14,16-18H2
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 1.94E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296427
PNG
(2-(4-benzoylpiperidine-1-carbonyl)benzoic acid | C...)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
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 1.96E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296428
PNG
(2-(2-methoxyphenyl)-N-(5-(4-methoxyphenyl)-1,3,4-t...)
Show SMILES CCCN(C(=O)Cc1ccccc1OC)c1nnc(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N3O3S/c1-4-13-24(19(25)14-16-7-5-6-8-18(16)27-3)21-23-22-20(28-21)15-9-11-17(26-2)12-10-15/h5-12H,4,13-14H2,1-3H3
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 1.97E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296427
PNG
(2-(4-benzoylpiperidine-1-carbonyl)benzoic acid | C...)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
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 2.07E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296429
PNG
(2-(4-(2-methoxybenzyl)-5-(pyridin-4-yl)-4H-1,2,4-t...)
Show SMILES COc1ccccc1Cn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c1-17-9-13-27(14-10-17)21(29)16-31-23-26-25-22(18-7-11-24-12-8-18)28(23)15-19-5-3-4-6-20(19)30-2/h3-8,11-12,17H,9-10,13-16H2,1-2H3
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 2.08E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296420
PNG
(CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...)
Show SMILES CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
Show InChI InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3
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 2.20E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		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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 2.25E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296426
PNG
(CHEMBL563098 | N1-benzyl-N4-((tetrahydrofuran-2-yl...)
Show SMILES O=S(=O)(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1cccs1
Show InChI InChI=1S/C23H26N2O5S3/c26-32(27,24-16-19-6-2-1-3-7-19)22-10-12-23(13-11-22)33(28,29)25(17-20-8-4-14-30-20)18-21-9-5-15-31-21/h1-3,5-7,9-13,15,20,24H,4,8,14,16-18H2
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 2.30E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296430
PNG
(CHEMBL563306 | N-(3-methoxybenzyl)-3-methyl-N-(pyr...)
Show SMILES COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(c(C)c2)-n2cnnn2)c1
Show InChI InChI=1S/C22H22N6O3S/c1-17-11-21(8-9-22(17)28-16-24-25-26-28)32(29,30)27(15-19-6-4-10-23-13-19)14-18-5-3-7-20(12-18)31-2/h3-13,16H,14-15H2,1-2H3
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 2.39E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296428
PNG
(2-(2-methoxyphenyl)-N-(5-(4-methoxyphenyl)-1,3,4-t...)
Show SMILES CCCN(C(=O)Cc1ccccc1OC)c1nnc(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N3O3S/c1-4-13-24(19(25)14-16-7-5-6-8-18(16)27-3)21-23-22-20(28-21)15-9-11-17(26-2)12-10-15/h5-12H,4,13-14H2,1-3H3
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 2.51E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
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 2.59E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296421
PNG
(2-(4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-y...)
Show SMILES NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1
Show InChI InChI=1S/C15H14N4OS2/c16-13(20)10-22-15-18-17-14(12-7-4-8-21-12)19(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,20)
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 2.72E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296430
PNG
(CHEMBL563306 | N-(3-methoxybenzyl)-3-methyl-N-(pyr...)
Show SMILES COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(c(C)c2)-n2cnnn2)c1
Show InChI InChI=1S/C22H22N6O3S/c1-17-11-21(8-9-22(17)28-16-24-25-26-28)32(29,30)27(15-19-6-4-10-23-13-19)14-18-5-3-7-20(12-18)31-2/h3-13,16H,14-15H2,1-2H3
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 2.84E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296429
PNG
(2-(4-(2-methoxybenzyl)-5-(pyridin-4-yl)-4H-1,2,4-t...)
Show SMILES COc1ccccc1Cn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c1-17-9-13-27(14-10-17)21(29)16-31-23-26-25-22(18-7-11-24-12-8-18)28(23)15-19-5-3-4-6-20(19)30-2/h3-8,11-12,17H,9-10,13-16H2,1-2H3
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 3.02E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296432
PNG
(CHEMBL552272 | N-(2-(2-(2-(4-methoxyphenyl)-2-oxoe...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)C1CC1
Show InChI InChI=1S/C20H19N5O3/c1-28-15-10-8-13(9-11-15)18(26)12-25-23-19(22-24-25)16-4-2-3-5-17(16)21-20(27)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,27)
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 3.10E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296433
PNG
(CHEMBL564664 | benzyl 2-(5-(2-fluorophenyl)-1,3,4-...)
Show SMILES Fc1ccccc1-c1nnc(SCC(=O)OCc2ccccc2)o1
Show InChI InChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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 3.20E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296433
PNG
(CHEMBL564664 | benzyl 2-(5-(2-fluorophenyl)-1,3,4-...)
Show SMILES Fc1ccccc1-c1nnc(SCC(=O)OCc2ccccc2)o1
Show InChI InChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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 3.34E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296434
PNG
(3-(5-(2-(2-fluorophenyl)-2-oxoethylthio)-1H-tetraz...)
Show SMILES OC(=O)c1cccc(c1)-n1nnnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C16H11FN4O3S/c17-13-7-2-1-6-12(13)14(22)9-25-16-18-19-20-21(16)11-5-3-4-10(8-11)15(23)24/h1-8H,9H2,(H,23,24)
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 3.36E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296417
PNG
(CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
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 3.61E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296422
PNG
(2-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-y...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C18H15ClN2O3S/c1-12-2-4-13(5-3-12)16(22)11-25-18-21-20-17(24-18)10-23-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3
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 3.67E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
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 3.80E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296424
PNG
(1-(2-fluorophenyl)-2-(5-o-tolyl-1,3,4-oxadiazol-2-...)
Show SMILES Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-6-2-3-7-12(11)16-19-20-17(22-16)23-10-15(21)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3
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 3.93E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		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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 4.00E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296424
PNG
(1-(2-fluorophenyl)-2-(5-o-tolyl-1,3,4-oxadiazol-2-...)
Show SMILES Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1
Show InChI InChI=1S/C17H13FN2O2S/c1-11-6-2-3-7-12(11)16-19-20-17(22-16)23-10-15(21)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3
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 4.00E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296432
PNG
(CHEMBL552272 | N-(2-(2-(2-(4-methoxyphenyl)-2-oxoe...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)C1CC1
Show InChI InChI=1S/C20H19N5O3/c1-28-15-10-8-13(9-11-15)18(26)12-25-23-19(22-24-25)16-4-2-3-5-17(16)21-20(27)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,27)
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 4.13E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296416
PNG
(CHEMBL563744 | methyl 2-(4-benzyl-5-(2-hydroxyphen...)
Show SMILES COC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-24-16(23)12-25-18-20-19-17(14-9-5-6-10-15(14)22)21(18)11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3
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 4.16E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296434
PNG
(3-(5-(2-(2-fluorophenyl)-2-oxoethylthio)-1H-tetraz...)
Show SMILES OC(=O)c1cccc(c1)-n1nnnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C16H11FN4O3S/c17-13-7-2-1-6-12(13)14(22)9-25-16-18-19-20-21(16)11-5-3-4-10(8-11)15(23)24/h1-8H,9H2,(H,23,24)
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 5.38E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)		BDBM50296435
PNG
(2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...)
Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)
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 5.70E+4n/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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296433
PNG
(CHEMBL564664 | benzyl 2-(5-(2-fluorophenyl)-1,3,4-...)
Show SMILES Fc1ccccc1-c1nnc(SCC(=O)OCc2ccccc2)o1
Show InChI InChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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 6.72E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		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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 6.73E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296436
PNG
(2-(4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-ylth...)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1
Show InChI InChI=1S/C21H16FN3O2S/c22-17-10-8-16(9-11-17)18(26)14-28-21-24-23-20(19-7-4-12-27-19)25(21)13-15-5-2-1-3-6-15/h1-12H,13-14H2
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 7.45E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM39191
PNG
(2-[4-Furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1
Show InChI InChI=1S/C19H15N3O3S2/c23-14-7-5-13(6-8-14)18-20-21-19(22(18)11-15-3-1-9-25-15)27-12-16(24)17-4-2-10-26-17/h1-10,23H,11-12H2
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 7.45E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296418
PNG
(2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...)
Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12
Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)
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 8.63E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296428
PNG
(2-(2-methoxyphenyl)-N-(5-(4-methoxyphenyl)-1,3,4-t...)
Show SMILES CCCN(C(=O)Cc1ccccc1OC)c1nnc(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N3O3S/c1-4-13-24(19(25)14-16-7-5-6-8-18(16)27-3)21-23-22-20(28-21)15-9-11-17(26-2)12-10-15/h5-12H,4,13-14H2,1-3H3
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 1.28E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
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 1.38E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296430
PNG
(CHEMBL563306 | N-(3-methoxybenzyl)-3-methyl-N-(pyr...)
Show SMILES COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(c(C)c2)-n2cnnn2)c1
Show InChI InChI=1S/C22H22N6O3S/c1-17-11-21(8-9-22(17)28-16-24-25-26-28)32(29,30)27(15-19-6-4-10-23-13-19)14-18-5-3-7-20(12-18)31-2/h3-13,16H,14-15H2,1-2H3
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 1.48E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296421
PNG
(2-(4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-y...)
Show SMILES NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1
Show InChI InChI=1S/C15H14N4OS2/c16-13(20)10-22-15-18-17-14(12-7-4-8-21-12)19(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,20)
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 1.55E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296416
PNG
(CHEMBL563744 | methyl 2-(4-benzyl-5-(2-hydroxyphen...)
Show SMILES COC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-24-16(23)12-25-18-20-19-17(14-9-5-6-10-15(14)22)21(18)11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3
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 1.59E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296423
PNG
(CHEMBL551672 | N-(2-chlorobenzyl)-N-(furan-2-ylmet...)
Show SMILES Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl
Show InChI InChI=1S/C20H18ClN5O3S/c1-15-11-18(8-9-20(15)26-14-22-23-24-26)30(27,28)25(13-17-6-4-10-29-17)12-16-5-2-3-7-19(16)21/h2-11,14H,12-13H2,1H3
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 1.59E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296417
PNG
(CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
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 1.60E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296435
PNG
(2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...)
Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)
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 1.96E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296435
PNG
(2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...)
Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)
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 2.17E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296436
PNG
(2-(4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-ylth...)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1
Show InChI InChI=1S/C21H16FN3O2S/c22-17-10-8-16(9-11-17)18(26)14-28-21-24-23-20(19-7-4-12-27-19)25(21)13-15-5-2-1-3-6-15/h1-12H,13-14H2
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 2.36E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296425
PNG
(2-(pyridin-4-ylmethylamino)-1-(4-tosylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CNCc1ccncc1
Show InChI InChI=1S/C19H24N4O3S/c1-16-2-4-18(5-3-16)27(25,26)23-12-10-22(11-13-23)19(24)15-21-14-17-6-8-20-9-7-17/h2-9,21H,10-15H2,1H3
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 2.50E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296432
PNG
(CHEMBL552272 | N-(2-(2-(2-(4-methoxyphenyl)-2-oxoe...)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)C1CC1
Show InChI InChI=1S/C20H19N5O3/c1-28-15-10-8-13(9-11-15)18(26)12-25-23-19(22-24-25)16-4-2-3-5-17(16)21-20(27)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,27)
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 2.92E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296427
PNG
(2-(4-benzoylpiperidine-1-carbonyl)benzoic acid | C...)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
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 3.20E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))		BDBM50296425
PNG
(2-(pyridin-4-ylmethylamino)-1-(4-tosylpiperazin-1-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CNCc1ccncc1
Show InChI InChI=1S/C19H24N4O3S/c1-16-2-4-18(5-3-16)27(25,26)23-12-10-22(11-13-23)19(24)15-21-14-17-6-8-20-9-7-17/h2-9,21H,10-15H2,1H3
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 3.64E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


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

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296429
PNG
(2-(4-(2-methoxybenzyl)-5-(pyridin-4-yl)-4H-1,2,4-t...)
Show SMILES COc1ccccc1Cn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c1-17-9-13-27(14-10-17)21(29)16-31-23-26-25-22(18-7-11-24-12-8-18)28(23)15-19-5-3-4-6-20(19)30-2/h3-8,11-12,17H,9-10,13-16H2,1-2H3
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 3.81E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50296434
PNG
(3-(5-(2-(2-fluorophenyl)-2-oxoethylthio)-1H-tetraz...)
Show SMILES OC(=O)c1cccc(c1)-n1nnnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C16H11FN4O3S/c17-13-7-2-1-6-12(13)14(22)9-25-16-18-19-20-21(16)11-5-3-4-10(8-11)15(23)24/h1-8H,9H2,(H,23,24)
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 5.50E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		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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 8.00E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1

Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%