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Compile Data Set for Download or QSAR

Found 1451 hits with Last Name = 'kim' and Initial = 'kh'   
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
Tubulin


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109343
PNG
(1-Methyl-5-[(S)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CN=C(O1)c1ccc2n(C)ccc2c1 |c:15|
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109342
PNG
(1-Methyl-5-[(R)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CN=C(O1)c1ccc2n(C)ccc2c1 |c:15|
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m0/s1
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3.69E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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6.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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6.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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6.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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6.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50100962
PNG
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)
Show SMILES [#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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1.56E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50100962
PNG
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)
Show SMILES [#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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1.56E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014339
PNG
(1N-amino(immino)methyl-4-nitroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-1-3-6(4-2-5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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2.06E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50053620
PNG
(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
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2.06E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50053620
PNG
(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
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2.06E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014339
PNG
(1N-amino(immino)methyl-4-nitroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-1-3-6(4-2-5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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2.06E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014343
PNG
(1N-amino(immino)methyl-4-bromoaniline)
Show SMILES NC(=[NH2+])Nc1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)/p+1
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3.07E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014343
PNG
(1N-amino(immino)methyl-4-bromoaniline)
Show SMILES NC(=[NH2+])Nc1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)/p+1
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3.07E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014344
PNG
(1N-amino(immino)methyl-4-fluoroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)/p+1
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3.89E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014337
PNG
(1N-amino(immino)methyl-2-nitroaniline)
Show SMILES [#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-3-1-2-4-6(5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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5.43E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014337
PNG
(1N-amino(immino)methyl-2-nitroaniline)
Show SMILES [#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-3-1-2-4-6(5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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5.43E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50053608
PNG
(1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
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6.17E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50053608
PNG
(1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
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6.18E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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6.31E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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6.31E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014344
PNG
(1N-amino(immino)methyl-4-fluoroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)/p+1
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7.24E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014326
PNG
(1N-amino(immino)methyl-4-ethylaniline)
Show SMILES CCc1ccc(NC(N)=[NH2+])cc1
Show InChI InChI=1S/C9H13N3/c1-2-7-3-5-8(6-4-7)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12)/p+1
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9.07E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014326
PNG
(1N-amino(immino)methyl-4-ethylaniline)
Show SMILES CCc1ccc(NC(N)=[NH2+])cc1
Show InChI InChI=1S/C9H13N3/c1-2-7-3-5-8(6-4-7)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12)/p+1
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9.08E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50053633
PNG
(1N-amino(immino)methyl-2-chloroaniline | CHEMBL418...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1Cl
Show InChI InChI=1S/C7H8ClN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,(H4,9,10,11)
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1.03E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50053633
PNG
(1N-amino(immino)methyl-2-chloroaniline | CHEMBL418...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1Cl
Show InChI InChI=1S/C7H8ClN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,(H4,9,10,11)
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1.03E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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1.20E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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1.20E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50014337
PNG
(1N-amino(immino)methyl-2-nitroaniline)
Show SMILES [#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-3-1-2-4-6(5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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1.33E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50014337
PNG
(1N-amino(immino)methyl-2-nitroaniline)
Show SMILES [#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-3-1-2-4-6(5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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1.33E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014340
PNG
(1N-amino(immino)methyl-2-methoxyaniline)
Show SMILES COc1ccccc1NC(N)=[NH2+]
Show InChI InChI=1S/C8H11N3O/c1-12-7-5-3-2-4-6(7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)/p+1
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1.36E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014340
PNG
(1N-amino(immino)methyl-2-methoxyaniline)
Show SMILES COc1ccccc1NC(N)=[NH2+]
Show InChI InChI=1S/C8H11N3O/c1-12-7-5-3-2-4-6(7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)/p+1
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1.36E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50053620
PNG
(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
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1.63E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50053620
PNG
(1-phenylguanidine | 1N-amino(immino)methylaniline ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1
Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
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1.63E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014332
PNG
(1N-amino(immino)methyl-2-methylaniline)
Show SMILES Cc1ccccc1NC(N)=[NH2+]
Show InChI InChI=1S/C8H11N3/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)/p+1
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2.59E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014332
PNG
(1N-amino(immino)methyl-2-methylaniline)
Show SMILES Cc1ccccc1NC(N)=[NH2+]
Show InChI InChI=1S/C8H11N3/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)/p+1
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2.59E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50100962
PNG
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)
Show SMILES [#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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3.18E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50100962
PNG
(1N-amino(immino)methyl-4-methylaniline | CHEMBL434...)
Show SMILES [#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
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3.18E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50014339
PNG
(1N-amino(immino)methyl-4-nitroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-1-3-6(4-2-5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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3.52E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50014339
PNG
(1N-amino(immino)methyl-4-nitroaniline)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N4O2/c8-7(9)10-5-1-3-6(4-2-5)11(12)13/h1-4H,(H4,8,9,10)/p+1
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3.52E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014329
PNG
(1N-amino(immino)methyl-1,2-benzenediamine)
Show SMILES NC(=[NH2+])Nc1ccccc1N
Show InChI InChI=1S/C7H10N4/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,8H2,(H4,9,10,11)/p+1
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3.88E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014329
PNG
(1N-amino(immino)methyl-1,2-benzenediamine)
Show SMILES NC(=[NH2+])Nc1ccccc1N
Show InChI InChI=1S/C7H10N4/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,8H2,(H4,9,10,11)/p+1
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3.88E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50053603
PNG
(1N-amino(immino)methyl-3-trifluoromethylaniline | ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H4,12,13,14)
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4.19E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50053603
PNG
(1N-amino(immino)methyl-3-trifluoromethylaniline | ...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H4,12,13,14)
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4.19E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50014330
PNG
(methyl 4-amino(immino)methylaminobenzoate)
Show SMILES COC(=O)c1ccc(NC(N)=[NH2+])cc1
Show InChI InChI=1S/C9H11N3O2/c1-14-8(13)6-2-4-7(5-3-6)12-9(10)11/h2-5H,1H3,(H4,10,11,12)/p+1
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6.52E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50014330
PNG
(methyl 4-amino(immino)methylaminobenzoate)
Show SMILES COC(=O)c1ccc(NC(N)=[NH2+])cc1
Show InChI InChI=1S/C9H11N3O2/c1-14-8(13)6-2-4-7(5-3-6)12-9(10)11/h2-5H,1H3,(H4,10,11,12)/p+1
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6.52E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50100969
PNG
(1N-amino(immino)methyl-4-methoxyaniline | CHEMBL29...)
Show SMILES [#6]-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
PDB
MMDB

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CHEMBL
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PubMed
6.76E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
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