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BDBM50009205 CHEMBL3238379

SMILES: Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N

InChI Key: InChIKey=ZLMROGSLYUZRSG-FQEVSTJZSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50009205   
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))
BDBM50009205
PNG
(CHEMBL3238379)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H31N9O5/c1-38-22(13-19-16-35-28(37-29(19)38)30(43)36-20(15-33)7-5-6-12-32)17-40-26(41)18-39(31(40)44)21-10-11-25(24(14-21)27(34)42)45-23-8-3-2-4-9-23/h2-4,8-11,13-14,16,20H,5-7,12,17-18,32H2,1H3,(H2,34,42)(H,36,43)/t20-/m0/s1
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Article
PubMed
n/an/a 5.10E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-D-Val-Leu-LyspNA (S-2251) peptide as substrate assessed as reduction of enzyme hydrolytic activity


Bioorg Med Chem 22: 2339-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.002
BindingDB Entry DOI: 10.7270/Q2KH0PVJ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50009205
PNG
(CHEMBL3238379)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H31N9O5/c1-38-22(13-19-16-35-28(37-29(19)38)30(43)36-20(15-33)7-5-6-12-32)17-40-26(41)18-39(31(40)44)21-10-11-25(24(14-21)27(34)42)45-23-8-3-2-4-9-23/h2-4,8-11,13-14,16,20H,5-7,12,17-18,32H2,1H3,(H2,34,42)(H,36,43)/t20-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma urokinase using Glu-Gly-Arg-pNA (S-2444) peptide as substrate assessed as reduction of enzyme hydrolytic activity


Bioorg Med Chem 22: 2339-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.002
BindingDB Entry DOI: 10.7270/Q2KH0PVJ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50009205
PNG
(CHEMBL3238379)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H31N9O5/c1-38-22(13-19-16-35-28(37-29(19)38)30(43)36-20(15-33)7-5-6-12-32)17-40-26(41)18-39(31(40)44)21-10-11-25(24(14-21)27(34)42)45-23-8-3-2-4-9-23/h2-4,8-11,13-14,16,20H,5-7,12,17-18,32H2,1H3,(H2,34,42)(H,36,43)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikerin using H-D-Phe-Pro-Arg-pNA (S-2302) peptide as substrate assessed as reduction of enzyme hydrolytic activity


Bioorg Med Chem 22: 2339-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.002
BindingDB Entry DOI: 10.7270/Q2KH0PVJ
More data for this
Ligand-Target Pair