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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50514065'   
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
Plasminogen


(Homo sapiens (Human))
BDBM50514065
PNG
(CHEMBL4570952)
Show SMILES CC(C)NC(=O)c1ccc(c(C)n1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2cc(Cl)c3oc(=O)[nH]c3c2)cc1 |r,wU:25.26,wD:22.22,18.18,(44.05,-15.78,;44.05,-14.24,;45.38,-13.46,;42.71,-13.47,;41.38,-14.24,;41.38,-15.78,;40.04,-13.48,;38.71,-14.25,;37.38,-13.48,;37.38,-11.94,;38.7,-11.17,;38.7,-9.63,;40.04,-11.93,;36.04,-11.17,;34.71,-11.94,;33.38,-11.17,;33.38,-9.63,;32.05,-8.86,;32.05,-7.32,;30.72,-6.55,;29.38,-7.32,;28.05,-6.55,;29.38,-8.86,;28.05,-9.64,;28.05,-11.18,;29.38,-11.94,;29.38,-13.48,;28.05,-14.25,;30.71,-11.18,;30.71,-9.64,;33.38,-6.55,;33.38,-5.01,;34.72,-7.32,;36.05,-6.55,;36.05,-5.02,;37.37,-4.25,;37.37,-2.71,;38.72,-5.01,;40.19,-4.54,;41.09,-5.79,;42.63,-5.8,;40.17,-7.03,;38.71,-6.55,;37.38,-7.33,;34.71,-8.86,;36.04,-9.62,)|
Show InChI InChI=1S/C34H39ClN6O5/c1-18(2)37-32(43)27-13-12-25(19(3)38-27)22-8-4-20(5-9-22)14-29(40-31(42)23-10-6-21(17-36)7-11-23)33(44)39-24-15-26(35)30-28(16-24)41-34(45)46-30/h4-5,8-9,12-13,15-16,18,21,23,29H,6-7,10-11,14,17,36H2,1-3H3,(H,37,43)(H,39,44)(H,40,42)(H,41,45)/t21-,23-,29-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin preincubated for 15 mins followed by MeOSuc-Ala-Phe-Lys-AMC substrate addition and measured after 30 mins by fluorescence...


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair