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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'burlein' and Initial = 'c'   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135935
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1
Show InChI InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135940
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-...)
Show SMILES CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135937
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-methyl-1H-imidazol-4...)
Show SMILES Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135938
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazo...)
Show SMILES CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144942
PNG
(2'-C-Me-guanosine | 2'-C-methyl-guanosine | 2'-C-m...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H15N5O5/c1-11(20)6(18)4(2-17)21-9(11)16-3-13-5-7(16)14-10(12)15-8(5)19/h3-4,6,9,17-18,20H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,9-,11-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(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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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144937
PNG
(2-Amino-9-((2R,3R,5S)-3-hydroxy-5-hydroxymethyl-te...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(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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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144947
PNG
(2-Amino-9-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl...)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50100009
PNG
(2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid | 2-(...)
Show SMILES OC(=O)C(Cc1ccccc1)c1cnc[nH]1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144938
PNG
(2-Amino-9-((2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-hydr...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144948
PNG
((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144949
PNG
((2R,3R,4R,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hyd...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc12
Show InChI InChI=1S/C11H16N6O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(12)15-10(13)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,9-,11-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144934
PNG
((2R,3R,4R,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydro...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O5/c1-11(19)7(17)5(2-16)20-10(11)15-4-14-6-8(15)12-3-13-9(6)18/h3-5,7,10,16-17,19H,2H2,1H3,(H,12,13,18)/t5-,7-,10-,11-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135938
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazo...)
Show SMILES CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50409930
PNG
(CHEMBL2021379)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6-,9-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144933
PNG
((2R,3S,4S,5R)-4-Fluoro-5-hydroxymethyl-2-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144939
PNG
((2R,3R,4R,5R)-2-(2-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cnc(N)nc12
Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)6(3-17)20-9(11)16-4-14-5-2-13-10(12)15-8(5)16/h2,4,6-7,9,17-19H,3H2,1H3,(H2,12,13,15)/t6-,7-,9-,11-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144945
PNG
((2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methy...)
Show SMILES CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144940
PNG
((2R,3S,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11+/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50422565
PNG
(CHEMBL2311161)
Show SMILES C[C@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-11(19)5(2-17)20-10(7(11)18)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7+,10-,11+/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144936
PNG
(CHEMBL1090 | VIDARABINE | adenine arabinoside)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144941
PNG
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxy...)
Show SMILES CO[C@]1(C)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O4/c1-12(20-2)8(19)6(3-18)21-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h4-6,8,11,18-19H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,11-,12-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144935
PNG
((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-3-ethyl-5-...)
Show SMILES CC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O4/c1-2-12(20)8(19)6(3-18)21-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h4-6,8,11,18-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,11-,12-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144932
PNG
((2R,3R,4R,5R)-4-Fluoro-2-hydroxymethyl-5-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
Show InChI InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135935
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1
Show InChI InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135940
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-...)
Show SMILES CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50408410
PNG
(CHEMBL480143)
Show SMILES C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H15N5O4/c1-11(19)5(2-17)20-10(7(11)18)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7+,10-,11-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135938
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazo...)
Show SMILES CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135937
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-methyl-1H-imidazol-4...)
Show SMILES Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50100009
PNG
(2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid | 2-(...)
Show SMILES OC(=O)C(Cc1ccccc1)c1cnc[nH]1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50100009
PNG
(2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid | 2-(...)
Show SMILES OC(=O)C(Cc1ccccc1)c1cnc[nH]1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144932
PNG
((2R,3R,4R,5R)-4-Fluoro-2-hydroxymethyl-5-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
Show InChI InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
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