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BDBM50111280 1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid [4-(7-tetrazol-1-yl-heptyloxy)-phenyl]-amide::CHEMBL275779

SMILES: Clc1ccc(cc1)N1CC(=O)C(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)C1=O

InChI Key: InChIKey=YXQREGTYZPYXOS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50111280   
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))
BDBM50111280
PNG
(1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H...)
Show SMILES Clc1ccc(cc1)N1CC(=O)C(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)C1=O
Show InChI InChI=1S/C25H27ClN6O4/c26-18-6-10-20(11-7-18)32-16-22(33)23(25(32)35)24(34)28-19-8-12-21(13-9-19)36-15-5-3-1-2-4-14-31-17-27-29-30-31/h6-13,17,23H,1-5,14-16H2,(H,28,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.


Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50111280
PNG
(1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H...)
Show SMILES Clc1ccc(cc1)N1CC(=O)C(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)C1=O
Show InChI InChI=1S/C25H27ClN6O4/c26-18-6-10-20(11-7-18)32-16-22(33)23(25(32)35)24(34)28-19-8-12-21(13-9-19)36-15-5-3-1-2-4-14-31-17-27-29-30-31/h6-13,17,23H,1-5,14-16H2,(H,28,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 690n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by chromogenic assay.


Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair