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Compile Data Set for Download or QSAR

Found 42 hits of ki for UniProtKB: Q01177   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen


(Rattus norvegicus)
BDBM50074920
PNG
(((R)-3-Phenyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...)
Show SMILES NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42|
Show InChI InChI=1S/C41H47F3N6O5/c42-41(43,44)35(51)33(20-27-11-14-31(15-12-27)47-38(45)46)48-37(53)34(21-26-9-5-2-6-10-26)49-36(52)32(16-13-25-7-3-1-4-8-25)50-39(54)55-40-22-28-17-29(23-40)19-30(18-28)24-40/h1-12,14-15,28-30,32-34H,13,16-24H2,(H,48,53)(H,49,52)(H,50,54)(H4,45,46,47)/p+1/t28?,29?,30?,32-,33?,34+,40?/m1/s1
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40n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074921
PNG
([(R)-1-({(S)-Naphthalen-2-yl-[3,3,3-trifluoro-1-(4...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1
Show InChI InChI=1S/C37H39F3N6O5/c1-36(2,3)51-35(50)45-29(20-22-9-5-4-6-10-22)32(48)46-30(26-16-15-24-11-7-8-12-25(24)21-26)33(49)44-28(31(47)37(38,39)40)19-23-13-17-27(18-14-23)43-34(41)42/h4-18,21,28-30H,19-20H2,1-3H3,(H,44,49)(H,45,50)(H,46,48)(H4,41,42,43)/p+1/t28?,29-,30+/m1/s1
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60n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074915
PNG
(((R)-2-Methyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...)
Show SMILES CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13|
Show InChI InChI=1S/C36H45F3N6O5/c1-20(2)29(45-34(49)50-35-17-23-12-24(18-35)14-25(13-23)19-35)32(48)44-28(16-21-6-4-3-5-7-21)31(47)43-27(30(46)36(37,38)39)15-22-8-10-26(11-9-22)42-33(40)41/h3-11,20,23-25,27-29H,12-19H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H4,40,41,42)/p+1/t23?,24?,25?,27?,28-,29+,35?/m0/s1
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80n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074918
PNG
(((R)-2,2-Dimethyl-1-{(S)-2-phenyl-1-[3,3,3-trifluo...)
Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14|
Show InChI InChI=1S/C37H47F3N6O5/c1-35(2,3)29(46-34(50)51-36-18-23-13-24(19-36)15-25(14-23)20-36)32(49)45-28(17-21-7-5-4-6-8-21)31(48)44-27(30(47)37(38,39)40)16-22-9-11-26(12-10-22)43-33(41)42/h4-12,23-25,27-29H,13-20H2,1-3H3,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/p+1/t23?,24?,25?,27?,28-,29-,36?/m0/s1
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120n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98600
PNG
((2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-pr...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C24H34N8O5S/c25-21(26)18-10-8-16(9-11-18)13-30-22(34)19(7-4-12-29-24(27)28)31-23(35)20(14-33)32-38(36,37)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,32-33H,4,7,12-15H2,(H3,25,26)(H,30,34)(H,31,35)(H4,27,28,29)/t19-,20+/m0/s1
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US Patent
200 -9.10n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98587
PNG
((2R)-N-[(1S)-1-(benzyloxymethyl)-2-[(4-carbamimido...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1
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US Patent
270 -8.92n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98599
PNG
((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1
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US Patent
360 -8.75n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98603
PNG
(3-amino-N-[4-[[(2S)-2-[[(2R)-2-(benzylsulfonylamin...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C24H29N7O5S/c25-22(26)18-8-6-16(7-9-18)11-28-23(33)20(10-19-12-27-15-29-19)30-24(34)21(13-32)31-37(35,36)14-17-4-2-1-3-5-17/h1-9,12,15,20-21,31-32H,10-11,13-14H2,(H3,25,26)(H,27,29)(H,28,33)(H,30,34)/t20-,21-/m0/s1
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400 -8.69n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074916
PNG
([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...)
Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14|
Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1
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500n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98601
PNG
((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...)
Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1
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US Patent
530 -8.53n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074917
PNG
(Morpholine-4-carboxylic acid ((R)-2,2-dimethyl-1-{...)
Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H40F3N7O5/c1-30(2,3)24(40-29(45)41-13-15-46-16-14-41)27(44)39-23(18-19-7-5-4-6-8-19)26(43)38-22(25(42)31(32,33)34)17-20-9-11-21(12-10-20)37-28(35)36/h4-12,22-24H,13-18H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/p+1/t22?,23-,24-/m0/s1
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560n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50076221
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCl)CCCNC(N)=N
Show InChI InChI=1S/C20H31ClN6O2/c21-13-15(8-4-10-25-20(23)24)26-18(28)17-9-5-11-27(17)19(29)16(22)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,22H2,(H,26,28)(H4,23,24,25)/t15-,16+,17-/m0/s1
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PubMed
699n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against plasmin


J Med Chem 42: 1367-75 (1999)


Article DOI: 10.1021/jm980354p
BindingDB Entry DOI: 10.7270/Q20Z72G1
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50231520
PNG
((R)-N-[(S)-1-(4-carbamimidoyl-benzylcarbamoyl)-2-h...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1
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US Patent
750 -8.32n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98588
PNG
((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1
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US Patent
810 -8.28n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98593
PNG
(US8476306, 6.19 | methyl 4-[[(1R)-2-[[(1S)-2-[(4-c...)
Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C23H29N5O8S/c1-36-23(33)17-8-4-15(5-9-17)13-37(34,35)28-19(12-30)22(32)27-18(11-29)21(31)26-10-14-2-6-16(7-3-14)20(24)25/h2-9,18-19,28-30H,10-13H2,1H3,(H3,24,25)(H,26,31)(H,27,32)/t18-,19+/m0/s1
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US Patent
960 -8.18n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50076220
PNG
((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...)
Show SMILES NC(=N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12
Show InChI InChI=1S/C21H34ClN7O/c22-14-17(7-4-10-26-20(23)24)27-19(30)18-8-11-28-12-9-21(25,15-29(18)28)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15,25H2,(H,27,30)(H4,23,24,26)/t17-,18-,21+/m0/s1
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978n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against plasmin


J Med Chem 42: 1367-75 (1999)


Article DOI: 10.1021/jm980354p
BindingDB Entry DOI: 10.7270/Q20Z72G1
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98590
PNG
((2S)-3-benzyloxy-2-[[(2R)-2-(benzylsulfonylamino)-...)
Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H35N5O6S/c1-20(40-18-22-8-4-2-5-9-22)26(29(37)32-16-21-12-14-24(15-13-21)27(30)31)33-28(36)25(17-35)34-41(38,39)19-23-10-6-3-7-11-23/h2-15,20,25-26,34-35H,16-19H2,1H3,(H3,30,31)(H,32,37)(H,33,36)/t20?,25-,26+/m1/s1
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US Patent
1.10E+3 -8.10n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98589
PNG
((2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-pr...)
Show SMILES CC(O)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H29N5O6S/c1-14(29)19(22(31)25-11-15-7-9-17(10-8-15)20(23)24)26-21(30)18(12-28)27-34(32,33)13-16-5-3-2-4-6-16/h2-10,14,18-19,27-29H,11-13H2,1H3,(H3,23,24)(H,25,31)(H,26,30)/t14?,18-,19+/m1/s1
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US Patent
1.40E+3 -7.95n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98583
PNG
(4-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O7S/c1-13(20(29)25-10-14-2-6-16(7-3-14)19(23)24)26-21(30)18(11-28)27-35(33,34)12-15-4-8-17(9-5-15)22(31)32/h2-9,13,18,27-28H,10-12H2,1H3,(H3,23,24)(H,25,29)(H,26,30)(H,31,32)/t13-,18+/m0/s1
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3.00E+3 -7.50n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98591
PNG
(3-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O8S/c23-19(24)15-6-4-13(5-7-15)9-25-20(30)17(10-28)26-21(31)18(11-29)27-36(34,35)12-14-2-1-3-16(8-14)22(32)33/h1-8,17-18,27-29H,9-12H2,(H3,23,24)(H,25,30)(H,26,31)(H,32,33)/t17-,18+/m0/s1
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4.20E+3 -7.31n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98584
PNG
(3-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O7S/c1-13(20(29)25-10-14-5-7-16(8-6-14)19(23)24)26-21(30)18(11-28)27-35(33,34)12-15-3-2-4-17(9-15)22(31)32/h2-9,13,18,27-28H,10-12H2,1H3,(H3,23,24)(H,25,29)(H,26,30)(H,31,32)/t13-,18+/m0/s1
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US Patent
4.70E+3 -7.24n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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PubMed
5.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards plasmin was determined


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98592
PNG
(4-[[(1R)-2-[[(1S)-2-[(4-carbamimidoylphenyl)methyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O8S/c23-19(24)15-5-1-13(2-6-15)9-25-20(30)17(10-28)26-21(31)18(11-29)27-36(34,35)12-14-3-7-16(8-4-14)22(32)33/h1-8,17-18,27-29H,9-12H2,(H3,23,24)(H,25,30)(H,26,31)(H,32,33)/t17-,18+/m0/s1
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US Patent
6.20E+3 -7.08n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98586
PNG
((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...)
Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1
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US Patent
7.40E+3 -6.97n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98602
PNG
(3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...)
Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)
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9.60E+3 -6.82n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50110015
PNG
(CHEMBL158936 | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AM...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1
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1.10E+4 -6.74n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98579
PNG
(US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...)
Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1
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1.70E+4 -6.48n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98595
PNG
((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...)
Show SMILES Cc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C21H27N5O5S/c1-14-2-4-16(5-3-14)13-32(30,31)26-18(12-27)21(29)25-11-19(28)24-10-15-6-8-17(9-7-15)20(22)23/h2-9,18,26-27H,10-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
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1.80E+4 -6.45n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98596
PNG
((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24FN5O5S/c21-16-7-3-14(4-8-16)12-32(30,31)26-17(11-27)20(29)25-10-18(28)24-9-13-1-5-15(6-2-13)19(22)23/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1
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2.00E+4 -6.38n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50069190
PNG
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29)
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against serine protease plasmin


Bioorg Med Chem Lett 7: 1497-1500 (1997)


Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98604
PNG
(2-[4-[[(1R)-2-[[2-[4-[(3-amino-4-methoxy-benzoyl)a...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2ccc(CC(O)=O)cc2)cc1
Show InChI InChI=1S/C22H27N5O7S/c23-21(24)17-7-5-15(6-8-17)10-25-19(29)11-26-22(32)18(12-28)27-35(33,34)13-16-3-1-14(2-4-16)9-20(30)31/h1-8,18,27-28H,9-13H2,(H3,23,24)(H,25,29)(H,26,32)(H,30,31)/t18-/m0/s1
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2.70E+4 -6.21n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98585
PNG
((2R)-N-[(1S)-2-[(4-carbamimidoylphenyl)methylamino...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H26N6O5S/c1-14(21(30)26-11-16-6-8-18(9-7-16)20(24)25)27-22(31)19(12-29)28-34(32,33)13-17-4-2-15(10-23)3-5-17/h2-9,14,19,28-29H,11-13H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t14-,19+/m0/s1
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2.70E+4 -6.21n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50110015
PNG
(CHEMBL158936 | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AM...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1
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2.80E+4 -6.19n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98594
PNG
((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN5O5S/c21-16-7-3-14(4-8-16)12-32(30,31)26-17(11-27)20(29)25-10-18(28)24-9-13-1-5-15(6-2-13)19(22)23/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1
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3.20E+4 -6.11n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98597
PNG
((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C20H23Cl2N5O5S/c21-15-6-3-13(7-16(15)22)11-33(31,32)27-17(10-28)20(30)26-9-18(29)25-8-12-1-4-14(5-2-12)19(23)24/h1-7,17,27-28H,8-11H2,(H3,23,24)(H,25,29)(H,26,30)/t17-/m1/s1
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3.20E+4 -6.11n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98580
PNG
(4-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25N5O7S/c22-19(23)15-5-1-13(2-6-15)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-14-3-7-16(8-4-14)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1
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US Patent
3.50E+4 -6.05n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98598
PNG
((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccncc2)cc1
Show InChI InChI=1S/C19H24N6O5S/c20-18(21)15-3-1-13(2-4-15)9-23-17(27)10-24-19(28)16(11-26)25-31(29,30)12-14-5-7-22-8-6-14/h1-8,16,25-26H,9-12H2,(H3,20,21)(H,23,27)(H,24,28)/t16-/m1/s1
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US Patent
3.70E+4 -6.02n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98581
PNG
(US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-5-3-2-4-16(17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-6-8-15(9-7-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1
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US Patent
3.80E+4 -6.01n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98578
PNG
(3-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H25N5O7S/c22-19(23)15-6-4-13(5-7-15)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-14-2-1-3-16(8-14)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1
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5.90E+4 -5.75n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50074919
PNG
(Morpholine-4-carboxylic acid [(R)-2,2-dimethyl-1-(...)
Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H34F3N7O5/c1-23(2,3)18(33-22(38)34-8-10-39-11-9-34)20(37)30-13-17(35)32-16(19(36)24(25,26)27)12-14-4-6-15(7-5-14)31-21(28)29/h4-7,16,18H,8-13H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)(H4,28,29,31)/p+1/t16?,18-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



The Procter& Gamble Company

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasmin (HP)


Bioorg Med Chem Lett 9: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2C24WX3
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
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1.57E+5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against plasmin


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM98582
PNG
(2-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C21H25N5O7S/c22-19(23)14-7-5-13(6-8-14)9-24-18(28)10-25-20(29)17(11-27)26-34(32,33)12-15-3-1-2-4-16(15)21(30)31/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)(H,30,31)/t17-/m1/s1
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US Patent
2.20E+5 -4.97n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair