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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urokinase-type plasminogen activator' and Ligand = 'BDBM50088982'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50088982
PNG
(CHEMBL160253 | CHEMBL367004 | N-[1-(1-Carbamimidoy...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C20H32N6O6S/c1-13(17(28)24-15-8-5-10-26(19(15)30)20(21)22)23-18(29)16(12-27)25-33(31,32)11-9-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,19,25,27,30H,5,8-12H2,1H3,(H3,21,22)(H,23,29)(H,24,28)/t13-,15-,16+,19?/m0/s1
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PC cid
PC sid
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3.10E+3n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of plasminogen activator urokinase after a 30 min incubation period.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50088982
PNG
(CHEMBL160253 | CHEMBL367004 | N-[1-(1-Carbamimidoy...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C20H32N6O6S/c1-13(17(28)24-15-8-5-10-26(19(15)30)20(21)22)23-18(29)16(12-27)25-33(31,32)11-9-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,19,25,27,30H,5,8-12H2,1H3,(H3,21,22)(H,23,29)(H,24,28)/t13-,15-,16+,19?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.10n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against human urokinase enzyme, activity expressed as IC50


Bioorg Med Chem Lett 10: 983-7 (2000)


BindingDB Entry DOI: 10.7270/Q2765DKB
More data for this
Ligand-Target Pair