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BDBM50132852 1-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-acetylamino]-4-nitro-phenyl}-pyrrolidine-2-carboxylic acid::CHEMBL110963

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(ccc1[N+]([O-])=O)N1CCCC1C(O)=O

InChI Key: InChIKey=VQJLJGFMNFFKDI-RPOHHAMGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50132852   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50132852
PNG
(1-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(ccc1[N+]([O-])=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C23H33N3O6/c1-14(2)17-8-6-15(3)11-21(17)32-13-22(27)24-18-12-16(7-9-19(18)26(30)31)25-10-4-5-20(25)23(28)29/h7,9,12,14-15,17,20-21H,4-6,8,10-11,13H2,1-3H3,(H,24,27)(H,28,29)/t15-,17+,20?,21-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay


Bioorg Med Chem Lett 13: 3361-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00686-3
BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair