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BDBM50138882 CHEMBL3752559

SMILES: CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1

InChI Key: InChIKey=XFRQLBAQWSWTGY-DJQRTKNSNA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50138882   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138882
PNG
(CHEMBL3752559)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C33H46F3N3O3/c1-2-3-4-5-6-7-20-38-32(41)30(39-31(40)27-14-8-25(22-37)9-15-27)21-24-12-18-29(19-13-24)42-23-26-10-16-28(17-11-26)33(34,35)36/h10-13,16-19,25,27,30H,2-9,14-15,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/s2
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Glu-Gly-Arg-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138882
PNG
(CHEMBL3752559)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C33H46F3N3O3/c1-2-3-4-5-6-7-20-38-32(41)30(39-31(40)27-14-8-25(22-37)9-15-27)21-24-12-18-29(19-13-24)42-23-26-10-16-28(17-11-26)33(34,35)36/h10-13,16-19,25,27,30H,2-9,14-15,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/s2
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Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50138882
PNG
(CHEMBL3752559)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C33H46F3N3O3/c1-2-3-4-5-6-7-20-38-32(41)30(39-31(40)27-14-8-25(22-37)9-15-27)21-24-12-18-29(19-13-24)42-23-26-10-16-28(17-11-26)33(34,35)36/h10-13,16-19,25,27,30H,2-9,14-15,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/s2
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair