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BDBM50046357 1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL2370422

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O

InChI Key: InChIKey=LFIGHRNZFXNOEV-YKOWGRMDSA-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 = 50046357   
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))
BDBM50046357
PNG
(1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrol...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-11-3-6-15(13-28)25-19(29)18-8-4-12-27(18)20(30)17-10-9-14-5-1-2-7-16(14)26-17/h1-2,5,7,13,15,17-18,26H,3-4,6,8-12H2,(H,25,29)(H4,22,23,24)/t15-,17?,18-/m0/s1
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n/an/a 1.50E+4n/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))
BDBM50046357
PNG
(1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrol...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-11-3-6-15(13-28)25-19(29)18-8-4-12-27(18)20(30)17-10-9-14-5-1-2-7-16(14)26-17/h1-2,5,7,13,15,17-18,26H,3-4,6,8-12H2,(H,25,29)(H4,22,23,24)/t15-,17?,18-/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 3.10E+3n/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))
BDBM50046357
PNG
(1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrol...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-11-3-6-15(13-28)25-19(29)18-8-4-12-27(18)20(30)17-10-9-14-5-1-2-7-16(14)26-17/h1-2,5,7,13,15,17-18,26H,3-4,6,8-12H2,(H,25,29)(H4,22,23,24)/t15-,17?,18-/m0/s1
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n/an/a 570n/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))
BDBM50046357
PNG
(1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrol...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-11-3-6-15(13-28)25-19(29)18-8-4-12-27(18)20(30)17-10-9-14-5-1-2-7-16(14)26-17/h1-2,5,7,13,15,17-18,26H,3-4,6,8-12H2,(H,25,29)(H4,22,23,24)/t15-,17?,18-/m0/s1
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n/an/a 1.20E+4n/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))
BDBM50046357
PNG
(1-(1,2,3,4-Tetrahydro-quinoline-2-carbonyl)-pyrrol...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-11-3-6-15(13-28)25-19(29)18-8-4-12-27(18)20(30)17-10-9-14-5-1-2-7-16(14)26-17/h1-2,5,7,13,15,17-18,26H,3-4,6,8-12H2,(H,25,29)(H4,22,23,24)/t15-,17?,18-/m0/s1
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/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