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BDBM50060000 (S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide::CHEMBL105205

SMILES: CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

InChI Key: InChIKey=HGZDLWBCOWFXST-YESZJQIVSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50060000   
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


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the activity of Plasmin

Bioorg Med Chem Lett 7: 2205-2210 (1997)


Article DOI: 10.1016/S0960-894X(97)00403-4
BindingDB Entry DOI: 10.7270/Q21G0MR2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the activity of human alpha Thrombin

Bioorg Med Chem Lett 7: 2205-2210 (1997)


Article DOI: 10.1016/S0960-894X(97)00403-4
BindingDB Entry DOI: 10.7270/Q21G0MR2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 36: 314-9 (1993)


BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 36: 314-9 (1993)


BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the activity of Trypsin

Bioorg Med Chem Lett 7: 2205-2210 (1997)


Article DOI: 10.1016/S0960-894X(97)00403-4
BindingDB Entry DOI: 10.7270/Q21G0MR2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)

J Med Chem 36: 314-9 (1993)


BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa

J Med Chem 36: 314-9 (1993)


BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))		BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 36: 314-9 (1993)


BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair