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BDBM50337330 5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole::CHEMBL1682352::US9163007, 10

SMILES: Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1

InChI Key: InChIKey=GMPRARRULJWWPH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50337330   
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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50337330
PNG
(5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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US Patent
56.3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50337330
PNG
(5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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Article
PubMed
70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta after 1 hr


Bioorg Med Chem Lett 21: 1476-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.007
BindingDB Entry DOI: 10.7270/Q2R78FGJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50337330
PNG
(5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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Article
PubMed
285n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Bioorg Med Chem Lett 21: 1476-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.007
BindingDB Entry DOI: 10.7270/Q2R78FGJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50337330
PNG
(5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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Article
PubMed
1.65E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 after 1 hr using biotinylated AL1peptide as substrate


Bioorg Med Chem Lett 21: 1476-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.007
BindingDB Entry DOI: 10.7270/Q2R78FGJ
More data for this
Ligand-Target Pair