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BDBM50046356 1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL104305

SMILES: [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1

InChI Key: InChIKey=GOZOOJYBIIQGLI-HRCADAONSA-N

Data: 5 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 5 hits for monomerid = 50046356   
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))
BDBM50046356
PNG
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)
Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1
Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1
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n/an/a 910n/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
Prothrombin


(Homo sapiens (Human))
BDBM50046356
PNG
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)
Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1
Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/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
Trypsin-1


(Homo sapiens (Human))
BDBM50046356
PNG
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)
Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1
Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1
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n/an/a 19n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50046356
PNG
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)
Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1
Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1
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n/an/a 1.60E+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
Plasminogen


(Homo sapiens (Human))
BDBM50046356
PNG
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)
Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1
Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1
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n/an/a 3.90E+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