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BDBM50431214 CHEMBL2332603

SMILES: [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-4-[#6]-[#6]-[#6]-[#6@H]-4-[#6](=O)-[#7]-2)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)c3

InChI Key: InChIKey=RQIHFUNZAUZASI-KOUBOAIGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431214   
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))
BDBM50431214
PNG
(CHEMBL2332603)
Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-4-[#6]-[#6]-[#6]-[#6@H]-4-[#6](=O)-[#7]-2)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)c3 |r|
Show InChI InChI=1S/C60H85N17O15S3/c1-32-50(83)71-40(21-33-10-12-37(79)13-11-33)54(87)73-42(52(85)67-22-47(62)80)30-94-27-35-18-34-19-36(20-35)28-95-31-43(58(91)77-17-5-9-46(77)59(92)76-16-4-7-44(76)55(88)69-32)74-56(89)45-8-3-15-75(45)57(90)39(6-2-14-65-60(63)64)70-49(82)24-66-48(81)23-68-53(86)41(29-93-26-34)72-51(84)38(61)25-78/h10-13,18-20,32,38-46,78-79H,2-9,14-17,21-31,61H2,1H3,(H2,62,80)(H,66,81)(H,67,85)(H,68,86)(H,69,88)(H,70,82)(H,71,83)(H,72,84)(H,73,87)(H,74,89)(H4,63,64,65)/t32-,38-,39?,40-,41-,42-,43-,44-,45-,46-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-D-Val-Leu-Lys-AMC as substrate assessed as residual activity by fluorescence plate reader analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair