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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tissue-type plasminogen activator' and Ligand = 'BDBM50518249'   
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
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50518249
PNG
(CHEMBL4588827)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](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)[C@@H](C)CC |r|
Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control

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