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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'andrews' and Initial = 'jm'   
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
Prothrombin


(Homo sapiens (Human))
BDBM50010247
PNG
(CHEMBL3247184)
Show SMILES NC(=N)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
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3.98E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010252
PNG
(CHEMBL3247187)
Show SMILES NC(=N)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15)
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010249
PNG
(CHEMBL3247185)
Show SMILES NC(=N)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C14H14N2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,15,16)
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6.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010258
PNG
(CHEMBL3247193)
Show SMILES NC(=N)c1cccc(OCCCOc2ccccc2)c1
Show InChI InChI=1S/C16H18N2O2/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H3,17,18)
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM8527
PNG
(n,n-dimethyl, m-aminobenzamidine)
Show SMILES CN(C)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C9H13N3/c1-12(2)8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3,(H3,10,11)
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1.25E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010258
PNG
(CHEMBL3247193)
Show SMILES NC(=N)c1cccc(OCCCOc2ccccc2)c1
Show InChI InChI=1S/C16H18N2O2/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H3,17,18)
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1.25E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010258
PNG
(CHEMBL3247193)
Show SMILES NC(=N)c1cccc(OCCCOc2ccccc2)c1
Show InChI InChI=1S/C16H18N2O2/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H3,17,18)
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1.58E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010253
PNG
(CHEMBL3247189)
Show SMILES COc1cccc(c1)C(N)=N
Show InChI InChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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1.58E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM8527
PNG
(n,n-dimethyl, m-aminobenzamidine)
Show SMILES CN(C)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C9H13N3/c1-12(2)8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3,(H3,10,11)
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1.99E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010258
PNG
(CHEMBL3247193)
Show SMILES NC(=N)c1cccc(OCCCOc2ccccc2)c1
Show InChI InChI=1S/C16H18N2O2/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H3,17,18)
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010287
PNG
(CHEMBL3138844)
Show SMILES COc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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3.16E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010244
PNG
(CHEMBL3247181)
Show SMILES NC(=N)c1cccc(CO)c1
Show InChI InChI=1S/C8H10N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H3,9,10)
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3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010245
PNG
(CHEMBL3247182)
Show SMILES Cc1ccccc1C(N)=N
Show InChI InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
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3.98E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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7.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010257
PNG
(CHEMBL1231012)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Show InChI InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
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7.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010304
PNG
(CHEMBL3247195)
Show SMILES NC(=N)c1cccc(c1)C(=N)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H16N4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H3,19,20)(H2,21,22)
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7.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Tyr-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010249
PNG
(CHEMBL3247185)
Show SMILES NC(=N)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C14H14N2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,15,16)
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9.99E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010257
PNG
(CHEMBL1231012)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Show InChI InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
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9.99E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010279
PNG
(CHEMBL3138975)
Show SMILES CCOc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C9H12N2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010250
PNG
(CHEMBL3247186)
Show SMILES Cl.NC(=N)c1cccc(N)c1
Show InChI InChI=1S/C7H9N3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010287
PNG
(CHEMBL3138844)
Show SMILES COc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010257
PNG
(CHEMBL1231012)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Show InChI InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
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1.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010250
PNG
(CHEMBL3247186)
Show SMILES Cl.NC(=N)c1cccc(N)c1
Show InChI InChI=1S/C7H9N3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
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1.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010243
PNG
(CHEMBL3247180)
Show SMILES NC(=[NH2+])c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9)/p+1
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1.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50153443
PNG
(4-(HYDROXYMETHYL)BENZAMIDINE | 4-Hydroxymethyl-ben...)
Show SMILES NC(=N)c1ccc(CO)cc1
Show InChI InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
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1.58E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Tyr-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010257
PNG
(CHEMBL1231012)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Show InChI InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
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1.58E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010247
PNG
(CHEMBL3247184)
Show SMILES NC(=N)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
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1.58E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010253
PNG
(CHEMBL3247189)
Show SMILES COc1cccc(c1)C(N)=N
Show InChI InChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010245
PNG
(CHEMBL3247182)
Show SMILES Cc1ccccc1C(N)=N
Show InChI InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
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1.99E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010303
PNG
(CHEMBL3247194)
Show SMILES NC(=N)c1cccc(CC(=O)C(O)=O)c1
Show InChI InChI=1S/C10H10N2O3/c11-9(12)7-3-1-2-6(4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
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2.51E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM8527
PNG
(n,n-dimethyl, m-aminobenzamidine)
Show SMILES CN(C)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C9H13N3/c1-12(2)8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3,(H3,10,11)
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2.51E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010252
PNG
(CHEMBL3247187)
Show SMILES NC(=N)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15)
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3.16E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010250
PNG
(CHEMBL3247186)
Show SMILES Cl.NC(=N)c1cccc(N)c1
Show InChI InChI=1S/C7H9N3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
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3.16E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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3.16E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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3.98E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010244
PNG
(CHEMBL3247181)
Show SMILES NC(=N)c1cccc(CO)c1
Show InChI InChI=1S/C8H10N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H3,9,10)
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3.98E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010250
PNG
(CHEMBL3247186)
Show SMILES Cl.NC(=N)c1cccc(N)c1
Show InChI InChI=1S/C7H9N3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
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5.01E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010255
PNG
(CHEMBL3247191)
Show SMILES NC(=N)c1cccc(Br)c1
Show InChI InChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
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6.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010249
PNG
(CHEMBL3247185)
Show SMILES NC(=N)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C14H14N2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,15,16)
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6.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010253
PNG
(CHEMBL3247189)
Show SMILES COc1cccc(c1)C(N)=N
Show InChI InChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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6.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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6.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Complement C1s subcomponent


(Homo sapiens (Human))
BDBM50010255
PNG
(CHEMBL3247191)
Show SMILES NC(=N)c1cccc(Br)c1
Show InChI InChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
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6.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010246
PNG
(CHEMBL3247183)
Show SMILES Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H/p+1
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7.94E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010304
PNG
(CHEMBL3247195)
Show SMILES NC(=N)c1cccc(c1)C(=N)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H16N4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H3,19,20)(H2,21,22)
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9.99E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Tyr-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50153443
PNG
(4-(HYDROXYMETHYL)BENZAMIDINE | 4-Hydroxymethyl-ben...)
Show SMILES NC(=N)c1ccc(CO)cc1
Show InChI InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
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9.99E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Tyr-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010246
PNG
(CHEMBL3247183)
Show SMILES Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H/p+1
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1.58E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010247
PNG
(CHEMBL3247184)
Show SMILES NC(=N)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.58E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010246
PNG
(CHEMBL3247183)
Show SMILES Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
1.58E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


J Med Chem 21: 1202-7 (1979)


BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
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