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20 molecules are shown

Wt: 612.8
BDBM23869
Wt: 668.8
BDBM23870
Wt: 626.8
BDBM23871
Wt: 668.8
BDBM23874
Wt: 626.8
BDBM23875
Wt: 654.8
BDBM23867
Wt: 610.7
BDBM23878
Wt: 640.7
BDBM23885
Wt: 652.8
BDBM23886
Wt: 694.9
BDBM23887
Wt: 644.7
BDBM23888
Wt: 666.9
BDBM23889
Wt: 708.9
BDBM23890
Wt: 613.8
BDBM23891
Purchase
Wt: 626.8
BDBM23893
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 93 hits for monomerid = 23869,23870,23871,23874,23875,23867,23878,23885,23886,23887,23888,23889,23890,23891,23893   
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
Matriptase


(Homo sapiens (human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matriptase


(Homo sapiens (human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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14 -10.7n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23890
PNG
(3-amidinophenylalanine deriv., 34 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C37H56N8O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)50(48,49)42-32(20-26-9-7-10-28(19-26)34(38)39)36(47)44-14-8-13-43(17-18-44)35(46)27-11-15-45(16-12-27)37(40)41/h7,9-10,19,21-25,27,32,42H,8,11-18,20H2,1-6H3,(H3,38,39)(H3,40,41)/t32-/m0/s1
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50 -9.95n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23867
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C33H50N8O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)46(44,45)39-28(17-23-8-7-9-24(16-23)31(34)35)32(43)41-14-12-40(13-15-41)29(42)10-11-38-33(36)37/h7-9,16,18-22,28,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t28-/m0/s1
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57 -9.88n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23870
PNG
(3-[(2S)-3-[4-(4-carbamimidamidobutanoyl)piperazin-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-15-13-41(14-16-42)30(43)11-8-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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61 -9.84n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23888
PNG
(3-amidinophenylalanine deriv., 32 | 4-({4-[(2S)-3-...)
Show SMILES NC(=N)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H40N8O4S/c34-30(35)27-8-4-5-23(21-27)22-29(38-46(44,45)28-11-9-25(10-12-28)24-6-2-1-3-7-24)32(43)40-19-17-39(18-20-40)31(42)26-13-15-41(16-14-26)33(36)37/h1-12,21,26,29,38H,13-20,22H2,(H3,34,35)(H3,36,37)/t29-/m0/s1
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61 -9.84n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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65 -9.80n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23878
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H42N8O4S/c31-28(32)24-8-4-5-21(19-24)20-26(29(40)38-17-15-37(16-18-38)27(39)13-14-35-30(33)34)36-43(41,42)25-11-9-23(10-12-25)22-6-2-1-3-7-22/h4-5,8-12,19,22,26,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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89 -9.61n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23875
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-14-8-13-38(15-16-39)30(40)11-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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96 -9.57n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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100 -9.54n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM23878
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H42N8O4S/c31-28(32)24-8-4-5-21(19-24)20-26(29(40)38-17-15-37(16-18-38)27(39)13-14-35-30(33)34)36-43(41,42)25-11-9-23(10-12-25)22-6-2-1-3-7-22/h4-5,8-12,19,22,26,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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120n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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120n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23889
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)-1,4-di...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C36H54N6O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)47(45,46)40-32(20-26-9-7-10-28(19-26)34(37)38)36(44)42-16-8-15-41(17-18-42)35(43)27-11-13-39-14-12-27/h7,9-10,19,21-25,27,32,39-40H,8,11-18,20H2,1-6H3,(H3,37,38)/t32-/m0/s1
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130 -9.39n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23871
PNG
(3-[(2S)-3-[4-(4-aminobutanoyl)piperazin-1-yl]-3-ox...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-15-13-38(14-16-39)30(40)11-8-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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140 -9.34n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23869
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)piperazin-1-yl]-3-o...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1
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170 -9.23n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23870
PNG
(3-[(2S)-3-[4-(4-carbamimidamidobutanoyl)piperazin-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-15-13-41(14-16-42)30(43)11-8-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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260n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23889
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)-1,4-di...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C36H54N6O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)47(45,46)40-32(20-26-9-7-10-28(19-26)34(37)38)36(44)42-16-8-15-41(17-18-42)35(43)27-11-13-39-14-12-27/h7,9-10,19,21-25,27,32,39-40H,8,11-18,20H2,1-6H3,(H3,37,38)/t32-/m0/s1
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260n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(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
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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320 -8.85n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23890
PNG
(3-amidinophenylalanine deriv., 34 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C37H56N8O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)50(48,49)42-32(20-26-9-7-10-28(19-26)34(38)39)36(47)44-14-8-13-43(17-18-44)35(46)27-11-15-45(16-12-27)37(40)41/h7,9-10,19,21-25,27,32,42H,8,11-18,20H2,1-6H3,(H3,38,39)(H3,40,41)/t32-/m0/s1
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330n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23875
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-14-8-13-38(15-16-39)30(40)11-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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360n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23893
PNG
(3-amidinophenylalanine deriv., 37 | N-(2-aminoethy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)NCCN
Show InChI InChI=1S/C33H50N6O4S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)38-29(17-23-8-7-9-25(16-23)31(35)36)33(41)39-14-10-24(11-15-39)32(40)37-13-12-34/h7-9,16,18-22,24,29,38H,10-15,17,34H2,1-6H3,(H3,35,36)(H,37,40)/t29-/m0/s1
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380n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
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
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)


Article DOI: 10.1016/s0960-894x(99)00541-7
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
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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
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
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



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
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
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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
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
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)


Article DOI: 10.1016/s0960-894x(99)00541-7
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
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



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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440n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23869
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)piperazin-1-yl]-3-o...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1
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440n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Prothrombin


(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
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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Prothrombin


(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
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)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Thrombin


(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
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



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM23875
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-14-8-13-38(15-16-39)30(40)11-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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490n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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600n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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620n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23871
PNG
(3-[(2S)-3-[4-(4-aminobutanoyl)piperazin-1-yl]-3-ox...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-15-13-38(14-16-39)30(40)11-8-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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640n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23869
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)piperazin-1-yl]-3-o...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1
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640n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matriptase


(Homo sapiens (human))
BDBM23885
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES Cc1c2CC(C)(C)Oc2c(C)c(C)c1S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C31H44N8O5S/c1-18-19(2)27(20(3)23-17-31(4,5)44-26(18)23)45(42,43)37-24(16-21-7-6-8-22(15-21)28(32)33)29(41)39-13-11-38(12-14-39)25(40)9-10-36-30(34)35/h6-8,15,24,37H,9-14,16-17H2,1-5H3,(H3,32,33)(H4,34,35,36)/t24-/m0/s1
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730 -8.37n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23878
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H42N8O4S/c31-28(32)24-8-4-5-21(19-24)20-26(29(40)38-17-15-37(16-18-38)27(39)13-14-35-30(33)34)36-43(41,42)25-11-9-23(10-12-25)22-6-2-1-3-7-22/h4-5,8-12,19,22,26,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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780n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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810n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23867
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C33H50N8O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)46(44,45)39-28(17-23-8-7-9-24(16-23)31(34)35)32(43)41-14-12-40(13-15-41)29(42)10-11-38-33(36)37/h7-9,16,18-22,28,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t28-/m0/s1
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820n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23870
PNG
(3-[(2S)-3-[4-(4-carbamimidamidobutanoyl)piperazin-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-15-13-41(14-16-42)30(43)11-8-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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880n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM23893
PNG
(3-amidinophenylalanine deriv., 37 | N-(2-aminoethy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)NCCN
Show InChI InChI=1S/C33H50N6O4S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)38-29(17-23-8-7-9-25(16-23)31(35)36)33(41)39-14-10-24(11-15-39)32(40)37-13-12-34/h7-9,16,18-22,24,29,38H,10-15,17,34H2,1-6H3,(H3,35,36)(H,37,40)/t29-/m0/s1
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940n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23871
PNG
(3-[(2S)-3-[4-(4-aminobutanoyl)piperazin-1-yl]-3-ox...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-15-13-38(14-16-39)30(40)11-8-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23893
PNG
(3-amidinophenylalanine deriv., 37 | N-(2-aminoethy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)NCCN
Show InChI InChI=1S/C33H50N6O4S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)38-29(17-23-8-7-9-25(16-23)31(35)36)33(41)39-14-10-24(11-15-39)32(40)37-13-12-34/h7-9,16,18-22,24,29,38H,10-15,17,34H2,1-6H3,(H3,35,36)(H,37,40)/t29-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23875
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-14-8-13-38(15-16-39)30(40)11-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Factor Xa (fXa)


(Bos taurus)
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
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