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BDBM50157088 6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalene-2-carboxamidine::CHEMBL182309

SMILES: CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

InChI Key: InChIKey=AIYYJNSOLWDMRN-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50157088   
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
Trypsin


(Sus scrofa)
BDBM50157088
PNG
(6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalen...)
Show SMILES CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C23H24N2O/c1-14(2)26-20-5-3-4-17(12-20)21-13-22(21)18-8-6-16-11-19(23(24)25)9-7-15(16)10-18/h3-12,14,21-22H,13H2,1-2H3,(H3,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
141n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157088
PNG
(6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalen...)
Show SMILES CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C23H24N2O/c1-14(2)26-20-5-3-4-17(12-20)21-13-22(21)18-8-6-16-11-19(23(24)25)9-7-15(16)10-18/h3-12,14,21-22H,13H2,1-2H3,(H3,24,25)
PDB
MMDB

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KEGG

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PC sid
UniChem
Article
PubMed
263n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50157088
PNG
(6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalen...)
Show SMILES CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C23H24N2O/c1-14(2)26-20-5-3-4-17(12-20)21-13-22(21)18-8-6-16-11-19(23(24)25)9-7-15(16)10-18/h3-12,14,21-22H,13H2,1-2H3,(H3,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50157088
PNG
(6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalen...)
Show SMILES CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C23H24N2O/c1-14(2)26-20-5-3-4-17(12-20)21-13-22(21)18-8-6-16-11-19(23(24)25)9-7-15(16)10-18/h3-12,14,21-22H,13H2,1-2H3,(H3,24,25)
PDB
MMDB

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2.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against plasmin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50157088
PNG
(6-[2-(3-Isopropoxy-phenyl)-cyclopropyl]-naphthalen...)
Show SMILES CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C23H24N2O/c1-14(2)26-20-5-3-4-17(12-20)21-13-22(21)18-8-6-16-11-19(23(24)25)9-7-15(16)10-18/h3-12,14,21-22H,13H2,1-2H3,(H3,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.19E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against Tissue plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair