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BDBM50157089 8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-carboxamidine::CHEMBL181599

SMILES: NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1

InChI Key: InChIKey=PDOPCKAPHCDUPT-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 = 50157089   
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
Plasminogen


(Homo sapiens (Human))
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
PDB
MMDB

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Article
PubMed
239n/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
Trypsin


(Sus scrofa)
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
334n/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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
PDB

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antibodypedia
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Article
PubMed
379n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
PDB
MMDB

Reactome pathway
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Article
PubMed
622n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
UniChem

Similars

Article
PubMed
3.08E+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