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PubMed code 10560742

Compile data set for download or QSAR
Found 85 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
Trypsin


(Bos taurus (bovine))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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37n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082194
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H45N5O5S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)34-27(16-22-9-8-10-23(15-22)29(32)33)30(37)35-11-13-36(14-12-35)31(38)41-7/h8-10,15,17-21,27,34H,11-14,16H2,1-7H3,(H3,32,33)
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110n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM16175
PNG
(CHEMBL108468 | UKI-1 | ethyl 4-(3-carbamimidoyl-N-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)
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120n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082175
PNG
(3-[3-Morpholin-4-yl-2-(naphthalene-2-sulfonylamino...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H26N4O4S/c25-23(26)20-7-3-4-17(14-20)15-22(24(29)28-10-12-32-13-11-28)27-33(30,31)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27H,10-13,15H2,(H3,25,26)
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210n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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220n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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220n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082190
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(39,40)35-28(16-22-9-8-10-24(15-22)30(33)34)31(37)36-13-11-23(12-14-36)32(38)41-7/h8-10,15,17-21,23,28,35H,11-14,16H2,1-7H3,(H3,33,34)
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270n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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330n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082192
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(40,41)36-28(16-22-9-8-10-24(15-22)30(33)34)32(39)37-13-11-23(12-14-37)31(38)35-7/h8-10,15,17-21,23,28,36H,11-14,16H2,1-7H3,(H3,33,34)(H,35,38)
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360n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082174
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(39,40)35-28(15-22-10-8-11-23(14-22)30(33)34)31(37)36-13-9-12-24(18-36)32(38)41-7/h8,10-11,14,16-17,19-21,24,28,35H,9,12-13,15,18H2,1-7H3,(H3,33,34)
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360n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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390n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082187
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(40,41)36-28(15-22-10-8-11-23(14-22)30(33)34)32(39)37-13-9-12-24(18-37)31(38)35-7/h8,10-11,14,16-17,19-21,24,28,36H,9,12-13,15,18H2,1-7H3,(H3,33,34)(H,35,38)
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400n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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410n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of plasminogen activator urokinase(microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082182
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-pyrroli...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)15-22(24(29)28-12-3-4-13-28)27-32(30,31)21-11-10-18-7-1-2-8-19(18)16-21/h1-2,5-11,14,16,22,27H,3-4,12-13,15H2,(H3,25,26)
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440n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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490n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082183
PNG
(3-[3-Morpholin-4-yl-3-oxo-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H42N4O4S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(35,36)32-26(29(34)33-10-12-37-13-11-33)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32H,10-13,15H2,1-6H3,(H3,30,31)
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490n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082179
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)23-16-24(19(3)4)28(25(17-23)20(5)6)41(39,40)34-26(15-21-10-9-11-22(14-21)29(32)33)30(36)35-13-8-7-12-27(35)31(37)38/h9-11,14,16-20,26-27,34H,7-8,12-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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500n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082180
PNG
(3-[3-Azocan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1
Show InChI InChI=1S/C27H32N4O3S/c28-26(29)23-12-8-9-20(17-23)18-25(27(32)31-15-6-2-1-3-7-16-31)30-35(33,34)24-14-13-21-10-4-5-11-22(21)19-24/h4-5,8-14,17,19,25,30H,1-3,6-7,15-16,18H2,(H3,28,29)
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610n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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620n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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690n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082178
PNG
(3-[3-Azepan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)22-11-7-8-19(16-22)17-24(26(31)30-14-5-1-2-6-15-30)29-34(32,33)23-13-12-20-9-3-4-10-21(20)18-23/h3-4,7-13,16,18,24,29H,1-2,5-6,14-15,17H2,(H3,27,28)
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740n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082187
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(40,41)36-28(15-22-10-8-11-23(14-22)30(33)34)32(39)37-13-9-12-24(18-37)31(38)35-7/h8,10-11,14,16-17,19-21,24,28,36H,9,12-13,15,18H2,1-7H3,(H3,33,34)(H,35,38)
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790n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082185
PNG
(3-[3-Azocan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCCC1
Show InChI InChI=1S/C32H48N4O3S/c1-21(2)26-19-27(22(3)4)30(28(20-26)23(5)6)40(38,39)35-29(18-24-13-12-14-25(17-24)31(33)34)32(37)36-15-10-8-7-9-11-16-36/h12-14,17,19-23,29,35H,7-11,15-16,18H2,1-6H3,(H3,33,34)
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830n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082194
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H45N5O5S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)34-27(16-22-9-8-10-23(15-22)29(32)33)30(37)35-11-13-36(14-12-35)31(38)41-7/h8-10,15,17-21,27,34H,11-14,16H2,1-7H3,(H3,32,33)
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860n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082188
PNG
(3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1
Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(H3,32,33)
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950n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16175
PNG
(CHEMBL108468 | UKI-1 | ethyl 4-(3-carbamimidoyl-N-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)
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960n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082181
PNG
(3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1
Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)
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980n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082174
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(39,40)35-28(15-22-10-8-11-23(14-22)30(33)34)31(37)36-13-9-12-24(18-36)32(38)41-7/h8,10-11,14,16-17,19-21,24,28,35H,9,12-13,15,18H2,1-7H3,(H3,33,34)
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1.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082177
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCCN1C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)24-17-25(20(3)4)29(26(18-24)21(5)6)42(39,40)35-27(16-22-11-10-12-23(15-22)30(33)34)31(37)36-14-9-8-13-28(36)32(38)41-7/h10-12,15,17-21,27-28,35H,8-9,13-14,16H2,1-7H3,(H3,33,34)
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1.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM16175
PNG
(CHEMBL108468 | UKI-1 | ethyl 4-(3-carbamimidoyl-N-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)
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1.20E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082184
PNG
(3-[3-Oxo-3-piperidin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H44N4O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)38(36,37)33-27(30(35)34-13-8-7-9-14-34)16-22-11-10-12-23(15-22)29(31)32/h10-12,15,17-21,27,33H,7-9,13-14,16H2,1-6H3,(H3,31,32)
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1.30E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082190
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(39,40)35-28(16-22-9-8-10-24(15-22)30(33)34)31(37)36-13-11-23(12-14-36)32(38)41-7/h8-10,15,17-21,23,28,35H,11-14,16H2,1-7H3,(H3,33,34)
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1.30E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082179
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)23-16-24(19(3)4)28(25(17-23)20(5)6)41(39,40)34-26(15-21-10-9-11-22(14-21)29(32)33)30(36)35-13-8-7-12-27(35)31(37)38/h9-11,14,16-20,26-27,34H,7-8,12-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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1.30E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082190
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(39,40)35-28(16-22-9-8-10-24(15-22)30(33)34)31(37)36-13-11-23(12-14-36)32(38)41-7/h8-10,15,17-21,23,28,35H,11-14,16H2,1-7H3,(H3,33,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082177
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCCN1C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)24-17-25(20(3)4)29(26(18-24)21(5)6)42(39,40)35-27(16-22-11-10-12-23(15-22)30(33)34)31(37)36-14-9-8-13-28(36)32(38)41-7/h10-12,15,17-21,27-28,35H,8-9,13-14,16H2,1-7H3,(H3,33,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082179
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)23-16-24(19(3)4)28(25(17-23)20(5)6)41(39,40)34-26(15-21-10-9-11-22(14-21)29(32)33)30(36)35-13-8-7-12-27(35)31(37)38/h9-11,14,16-20,26-27,34H,7-8,12-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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1.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Coagulation factor X


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082194
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H45N5O5S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)34-27(16-22-9-8-10-23(15-22)29(32)33)30(37)35-11-13-36(14-12-35)31(38)41-7/h8-10,15,17-21,27,34H,11-14,16H2,1-7H3,(H3,32,33)
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1.80E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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2.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082186
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-15-25(19(3)4)28(26(16-24)20(5)6)41(39,40)34-27(14-21-9-7-10-22(13-21)29(32)33)30(36)35-12-8-11-23(17-35)31(37)38/h7,9-10,13,15-16,18-20,23,27,34H,8,11-12,14,17H2,1-6H3,(H3,32,33)(H,37,38)
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2.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082174
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(39,40)35-28(15-22-10-8-11-23(14-22)30(33)34)31(37)36-13-9-12-24(18-36)32(38)41-7/h8,10-11,14,16-17,19-21,24,28,35H,9,12-13,15,18H2,1-7H3,(H3,33,34)
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2.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082192
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(40,41)36-28(16-22-9-8-10-24(15-22)30(33)34)32(39)37-13-11-23(12-14-37)31(38)35-7/h8-10,15,17-21,23,28,36H,11-14,16H2,1-7H3,(H3,33,34)(H,35,38)
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2.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082184
PNG
(3-[3-Oxo-3-piperidin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H44N4O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)38(36,37)33-27(30(35)34-13-8-7-9-14-34)16-22-11-10-12-23(15-22)29(31)32/h10-12,15,17-21,27,33H,7-9,13-14,16H2,1-6H3,(H3,31,32)
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2.60E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082188
PNG
(3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1
Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(H3,32,33)
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2.80E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082176
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H45N5O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)39(37,38)33-27(30(36)35-13-11-34(7)12-14-35)16-22-9-8-10-23(15-22)29(31)32/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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3.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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3.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082185
PNG
(3-[3-Azocan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCCC1
Show InChI InChI=1S/C32H48N4O3S/c1-21(2)26-19-27(22(3)4)30(28(20-26)23(5)6)40(38,39)35-29(18-24-13-12-14-25(17-24)31(33)34)32(37)36-15-10-8-7-9-11-16-36/h12-14,17,19-23,29,35H,7-11,15-16,18H2,1-6H3,(H3,33,34)
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3.20E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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3.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082191
PNG
(3-[3-Oxo-3-pyrrolidin-1-yl-2-(2,4,6-triisopropyl-b...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC1
Show InChI InChI=1S/C29H42N4O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)37(35,36)32-26(29(34)33-12-7-8-13-33)15-21-10-9-11-22(14-21)28(30)31/h9-11,14,16-20,26,32H,7-8,12-13,15H2,1-6H3,(H3,30,31)
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3.90E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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4.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082188
PNG
(3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1
Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(H3,32,33)
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4.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082183
PNG
(3-[3-Morpholin-4-yl-3-oxo-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H42N4O4S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(35,36)32-26(29(34)33-10-12-37-13-11-33)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32H,10-13,15H2,1-6H3,(H3,30,31)
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4.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082192
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(40,41)36-28(16-22-9-8-10-24(15-22)30(33)34)32(39)37-13-11-23(12-14-37)31(38)35-7/h8-10,15,17-21,23,28,36H,11-14,16H2,1-7H3,(H3,33,34)(H,35,38)
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4.80E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082184
PNG
(3-[3-Oxo-3-piperidin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C30H44N4O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)38(36,37)33-27(30(35)34-13-8-7-9-14-34)16-22-11-10-12-23(15-22)29(31)32/h10-12,15,17-21,27,33H,7-9,13-14,16H2,1-6H3,(H3,31,32)
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5.10E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082183
PNG
(3-[3-Morpholin-4-yl-3-oxo-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H42N4O4S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(35,36)32-26(29(34)33-10-12-37-13-11-33)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32H,10-13,15H2,1-6H3,(H3,30,31)
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5.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tryptase


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082189
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-16-25(19(3)4)28(26(17-24)20(5)6)41(39,40)34-27(15-21-8-7-9-23(14-21)29(32)33)30(36)35-12-10-22(11-13-35)31(37)38/h7-9,14,16-20,22,27,34H,10-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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6.40E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082178
PNG
(3-[3-Azepan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)22-11-7-8-19(16-22)17-24(26(31)30-14-5-1-2-6-15-30)29-34(32,33)23-13-12-20-9-3-4-10-21(20)18-23/h3-4,7-13,16,18,24,29H,1-2,5-6,14-15,17H2,(H3,27,28)
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6.60E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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7.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082181
PNG
(3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1
Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)
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7.10E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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7.20E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of plasma kallikrein


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082175
PNG
(3-[3-Morpholin-4-yl-2-(naphthalene-2-sulfonylamino...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H26N4O4S/c25-23(26)20-7-3-4-17(14-20)15-22(24(29)28-10-12-32-13-11-28)27-33(30,31)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27H,10-13,15H2,(H3,25,26)
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7.70E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082185
PNG
(3-[3-Azocan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCCC1
Show InChI InChI=1S/C32H48N4O3S/c1-21(2)26-19-27(22(3)4)30(28(20-26)23(5)6)40(38,39)35-29(18-24-13-12-14-25(17-24)31(33)34)32(37)36-15-10-8-7-9-11-16-36/h12-14,17,19-23,29,35H,7-11,15-16,18H2,1-6H3,(H3,33,34)
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7.80E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082180
PNG
(3-[3-Azocan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1
Show InChI InChI=1S/C27H32N4O3S/c28-26(29)23-12-8-9-20(17-23)18-25(27(32)31-15-6-2-1-3-7-16-31)30-35(33,34)24-14-13-21-10-4-5-11-22(21)19-24/h4-5,8-14,17,19,25,30H,1-3,6-7,15-16,18H2,(H3,28,29)
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7.80E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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8.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082186
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-15-25(19(3)4)28(26(16-24)20(5)6)41(39,40)34-27(14-21-9-7-10-22(13-21)29(32)33)30(36)35-12-8-11-23(17-35)31(37)38/h7,9-10,13,15-16,18-20,23,27,34H,8,11-12,14,17H2,1-6H3,(H3,32,33)(H,37,38)
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8.20E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082191
PNG
(3-[3-Oxo-3-pyrrolidin-1-yl-2-(2,4,6-triisopropyl-b...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC1
Show InChI InChI=1S/C29H42N4O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)37(35,36)32-26(29(34)33-12-7-8-13-33)15-21-10-9-11-22(14-21)28(30)31/h9-11,14,16-20,26,32H,7-8,12-13,15H2,1-6H3,(H3,30,31)
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9.60E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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1.02E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082182
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-pyrroli...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)15-22(24(29)28-12-3-4-13-28)27-32(30,31)21-11-10-18-7-1-2-8-19(18)16-21/h1-2,5-11,14,16,22,27H,3-4,12-13,15H2,(H3,25,26)
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1.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082189
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-16-25(19(3)4)28(26(17-24)20(5)6)41(39,40)34-27(15-21-8-7-9-23(14-21)29(32)33)30(36)35-12-10-22(11-13-35)31(37)38/h7-9,14,16-20,22,27,34H,10-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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1.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082181
PNG
(3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1
Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)
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1.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082187
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(40,41)36-28(15-22-10-8-11-23(14-22)30(33)34)32(39)37-13-9-12-24(18-37)31(38)35-7/h8,10-11,14,16-17,19-21,24,28,36H,9,12-13,15,18H2,1-7H3,(H3,33,34)(H,35,38)
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1.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082186
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-15-25(19(3)4)28(26(16-24)20(5)6)41(39,40)34-27(14-21-9-7-10-22(13-21)29(32)33)30(36)35-12-8-11-23(17-35)31(37)38/h7,9-10,13,15-16,18-20,23,27,34H,8,11-12,14,17H2,1-6H3,(H3,32,33)(H,37,38)
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1.70E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082180
PNG
(3-[3-Azocan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1
Show InChI InChI=1S/C27H32N4O3S/c28-26(29)23-12-8-9-20(17-23)18-25(27(32)31-15-6-2-1-3-7-16-31)30-35(33,34)24-14-13-21-10-4-5-11-22(21)19-24/h4-5,8-14,17,19,25,30H,1-3,6-7,15-16,18H2,(H3,28,29)
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1.90E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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1.90E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082191
PNG
(3-[3-Oxo-3-pyrrolidin-1-yl-2-(2,4,6-triisopropyl-b...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC1
Show InChI InChI=1S/C29H42N4O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)37(35,36)32-26(29(34)33-12-7-8-13-33)15-21-10-9-11-22(14-21)28(30)31/h9-11,14,16-20,26,32H,7-8,12-13,15H2,1-6H3,(H3,30,31)
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1.90E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082176
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H45N5O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)39(37,38)33-27(30(36)35-13-11-34(7)12-14-35)16-22-9-8-10-23(15-22)29(31)32/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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2.10E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082178
PNG
(3-[3-Azepan-1-yl-2-(naphthalene-2-sulfonylamino)-3...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)22-11-7-8-19(16-22)17-24(26(31)30-14-5-1-2-6-15-30)29-34(32,33)23-13-12-20-9-3-4-10-21(20)18-23/h3-4,7-13,16,18,24,29H,1-2,5-6,14-15,17H2,(H3,27,28)
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2.80E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082177
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCCN1C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)24-17-25(20(3)4)29(26(18-24)21(5)6)42(39,40)35-27(16-22-11-10-12-23(15-22)30(33)34)31(37)36-14-9-8-13-28(36)32(38)41-7/h10-12,15,17-21,27-28,35H,8-9,13-14,16H2,1-7H3,(H3,33,34)
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3.30E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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3.80E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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4.80E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082189
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)24-16-25(19(3)4)28(26(17-24)20(5)6)41(39,40)34-27(15-21-8-7-9-23(14-21)29(32)33)30(36)35-12-10-22(11-13-35)31(37)38/h7-9,14,16-20,22,27,34H,10-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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5.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082176
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H45N5O3S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)39(37,38)33-27(30(36)35-13-11-34(7)12-14-35)16-22-9-8-10-23(15-22)29(31)32/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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5.20E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082175
PNG
(3-[3-Morpholin-4-yl-2-(naphthalene-2-sulfonylamino...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H26N4O4S/c25-23(26)20-7-3-4-17(14-20)15-22(24(29)28-10-12-32-13-11-28)27-33(30,31)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27H,10-13,15H2,(H3,25,26)
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5.80E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082182
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-pyrroli...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)15-22(24(29)28-12-3-4-13-28)27-32(30,31)21-11-10-18-7-1-2-8-19(18)16-21/h1-2,5-11,14,16,22,27H,3-4,12-13,15H2,(H3,25,26)
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7.30E+4n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of plasminogen activator urokinase(microPa).


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%