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SMILES: OC(=O)C1CCN(CC1)c1cc(N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)c(cc1C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=GZXGHYAOISVEGT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139535   
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 activator inhibitor 1


(Homo sapiens (Human))		BDBM50139535
PNG
(1-{4-Nitro-2-trifluoromethyl-5-[4-(3-trifluorometh...)
Show SMILES OC(=O)C1CCN(CC1)c1cc(N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)c(cc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C25H26F6N4O4/c26-24(27,28)18-3-1-2-16(12-18)15-32-8-10-34(11-9-32)21-14-20(33-6-4-17(5-7-33)23(36)37)19(25(29,30)31)13-22(21)35(38)39/h1-3,12-14,17H,4-11,15H2,(H,36,37)
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)

Bioorg Med Chem Lett 14: 761-5 (2004)


BindingDB Entry DOI: 10.7270/Q26T0M23
More data for this
Ligand-Target Pair