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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50518254'   
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))		BDBM50518254
PNG
(CHEMBL4585149)
Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
Show InChI InChI=1S/C72H108N22O18S2/c73-26-6-4-15-44-60(102)89-50(37-95)63(105)85-46(16-5-7-27-74)68(110)94-32-12-21-55(94)70(112)93-31-11-20-54(93)66(108)84-45(18-9-29-80-72(77)78)61(103)91-52-39-114-113-38-51(64(106)86-47(62(104)83-44)33-41-22-24-42(96)25-23-41)90-59(101)43(17-8-28-79-71(75)76)82-56(97)36-81-58(100)48(35-57(98)99)87-67(109)53-19-10-30-92(53)69(111)49(88-65(52)107)34-40-13-2-1-3-14-40/h1-3,13-14,22-25,43-55,95-96H,4-12,15-21,26-39,73-74H2,(H,81,100)(H,82,97)(H,83,104)(H,84,108)(H,85,105)(H,86,106)(H,87,109)(H,88,107)(H,89,102)(H,90,101)(H,91,103)(H,98,99)(H4,75,76,79)(H4,77,78,80)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 4.70n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins

J Med Chem 62: 552-560 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S
More data for this
Ligand-Target Pair