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BDBM50467212 CHEMBL4285028

SMILES: CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O

InChI Key: InChIKey=CVNXUNVHFJANHX-HXUWFJFHSA-N

Data: 6 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 6 hits for monomerid = 50467212   
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
Tissue-type plasminogen activator


(Mus musculus)
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
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UniChem
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n/an/a 910n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
Plasminogen


(Homo sapiens (Human))
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
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n/an/a 1.33E+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
Plasminogen


(Mus musculus)
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 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))
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
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n/an/a 1.58E+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
Urokinase-type plasminogen activator


(Mus musculus (Mouse))
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
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UniChem
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PubMed
n/an/a 410n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50467212
PNG
(CHEMBL4285028)
Show SMILES CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|
Show InChI InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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