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BDBM16309 2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximidamide::2-quinolin-8-yl-1H-benzimidazole-6-carboximidamide::APD-7

SMILES: NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12

InChI Key: InChIKey=QFXZSLFLWAJDDV-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 = 16309   
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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
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PubMed
321 -8.76n/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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
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PubMed
8.04E+3 -6.88n/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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
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PubMed
1.10E+4 -6.69n/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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
PDB
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Reactome pathway
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PubMed
1.10E+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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.01E+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))
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
PDB
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Reactome pathway
KEGG

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UniChem

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Article
PubMed
4.18E+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