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BDBM50046361 CHEMBL2370418::{2-[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-1-thiophen-3-yl-ethyl}-carbamic acid tert-butyl ester

SMILES: [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1

InChI Key: InChIKey=VGFDMPDZPNMFII-YESZJQIVSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50046361   
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))
BDBM50046361
PNG
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1
Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1
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n/an/a 150n/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))
BDBM50046361
PNG
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1
Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1
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antibodypedia
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n/an/a 73n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50046361
PNG
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1
Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1
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n/an/a 190n/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))
BDBM50046361
PNG
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1
Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1
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n/an/a 1.30E+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
Trypsin-1


(Homo sapiens (Human))
BDBM50046361
PNG
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#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)-c1ccsc1
Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1
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n/an/a 13n/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