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BDBM50518246 CHEMBL4563203

SMILES: NCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)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

InChI Key: InChIKey=LYXHXGYOULPEHQ-HBKJHRGCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50518246   
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))		BDBM50518246
PNG
(CHEMBL4563203)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)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 |r|
Show InChI InChI=1S/C72H108N20O18S2/c73-27-7-4-16-45-61(100)87-51(38-93)64(103)83-47(18-6-9-29-75)69(108)92-33-13-22-56(92)71(110)91-32-12-21-55(91)67(106)82-46(17-5-8-28-74)62(101)89-53-40-112-111-39-52(65(104)84-48(63(102)81-45)34-42-23-25-43(94)26-24-42)88-60(99)44(19-10-30-78-72(76)77)80-57(95)37-79-59(98)49(36-58(96)97)85-68(107)54-20-11-31-90(54)70(109)50(86-66(53)105)35-41-14-2-1-3-15-41/h1-3,14-15,23-26,44-56,93-94H,4-13,16-22,27-40,73-75H2,(H,79,98)(H,80,95)(H,81,102)(H,82,106)(H,83,103)(H,84,104)(H,85,107)(H,86,105)(H,87,100)(H,88,99)(H,89,101)(H,96,97)(H4,76,77,78)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
PDB
MMDB

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KEGG

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PC cid
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UniChem
Article
PubMed
 2.5n/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
More data for this
Ligand-Target Pair