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BDBM50157096 6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cyclopropyl)-2-naphthimidamide::6-[2-(1-Isopropyl-3,4-dihydro-isoquinolin-7-yl)-cyclopropyl]-naphthalene-2-carboxamidine::CHEMBL179941

SMILES: CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N

InChI Key: InChIKey=APXAIXPMIFECKD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50157096   
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)
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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PubMed
53n/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))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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126n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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139n/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 (KLK1)


(Homo sapiens (Human))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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525n/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))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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1.05E+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))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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4.74E+3n/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