BindingDB logo
myBDB logout

null

SMILES: Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1

InChI Key: InChIKey=GDPHNLIBJUAUNC-UHFFFAOYSA-N

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 11 hits for monomerid = 14158   
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


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
270n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 12: 2023-6 (2002)


BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
270 -8.86n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
410n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 12: 2023-6 (2002)


BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
520n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor X


Bioorg Med Chem Lett 12: 2023-6 (2002)


BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Activation of plasminogen


Bioorg Med Chem Lett 12: 2023-6 (2002)


BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
5.50E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2023-6 (2002)


BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14158
PNG
(APC-11922 | CHEMBL293260 | N-(4-carbamimidoyl-3-fl...)
Show SMILES Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C15H13FIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair