BindingDB logo
myBDB logout

BDBM50467209 CHEMBL4291446

SMILES: COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1

InChI Key: InChIKey=WWBGDPBRUAWUAY-NRFANRHFSA-N

Data: 3 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 3 hits for monomerid = 50467209   
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
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50467209
PNG
(CHEMBL4291446)
Show SMILES COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O5/c1-25(2,3)21(24(30)31)34-23-20(27)12-19(26)22(29-23)33-18-10-16(9-17(11-18)32-4)15-7-5-6-14(8-15)13-28/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human uPA


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50467209
PNG
(CHEMBL4291446)
Show SMILES COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O5/c1-25(2,3)21(24(30)31)34-23-20(27)12-19(26)22(29-23)33-18-10-16(9-17(11-18)32-4)15-7-5-6-14(8-15)13-28/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50467209
PNG
(CHEMBL4291446)
Show SMILES COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O5/c1-25(2,3)21(24(30)31)34-23-20(27)12-19(26)22(29-23)33-18-10-16(9-17(11-18)32-4)15-7-5-6-14(8-15)13-28/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair