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BDBM65505 PET-cGMP

SMILES: O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1

InChI Key: InChIKey=TVSIKYJKUPRIDV-LSCFUAHRSA-N

Data: 8 EC50

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 8 hits for monomerid = 65505   
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
hPKG 1 beta 1-351 (G182E)


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5.80n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG 1 beta 1-351 (G306E)


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
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UniChem

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Article
PubMed
n/an/an/an/a<2n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG 1 beta 5-676


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
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UniChem

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Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG 1 beta 1-351


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.80n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 193n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418 (G232E)


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.96E+3n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418 (G356E)


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5.30n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase 2


(Homo sapiens)
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 225n/an/an/an/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair