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BDBM16310 2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboximidamide::2-isoquinolin-3-yl-1H-benzimidazole-6-carboximidamide::APD-8

SMILES: NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1

InChI Key: InChIKey=BWHYPPFYZJYGIO-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 = 16310   
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
Prothrombin


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
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Article
PubMed
1.85E+3 -7.74n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
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Article
PubMed
1.64E+4 -6.46n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
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Article
PubMed
2.34E+4n/an/an/an/an/an/an/an/a



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.55E+4n/an/an/an/an/an/an/an/a



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
PDB
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Article
PubMed
5.66E+4n/an/an/an/an/an/an/an/a



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
6.33E+4 -5.67n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair