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Compile Data Set for Download or QSAR

Found 25 hits of ki for UniProtKB: P22612   
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
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50228843
PNG
(CHEMBL436718)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(O)=O
Show InChI InChI=1S/C53H94N28O12S/c54-48(55)68-18-2-9-32(41(84)77-34(11-4-20-70-50(58)59)43(86)79-36(13-6-22-72-52(62)63)45(88)81-37(47(90)91)14-7-23-73-53(64)65)76-42(85)33(10-3-19-69-49(56)57)78-44(87)35(12-5-21-71-51(60)61)80-46(89)38(29-82)75-40(83)17-25-66-26-27-74-94(92,93)39-15-1-8-30-28-67-24-16-31(30)39/h1,8,15-16,24,28,32-38,66,74,82H,2-7,9-14,17-23,25-27,29H2,(H,75,83)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,89)(H,81,88)(H,90,91)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
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4n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase A (PKA)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50228839
PNG
(CHEMBL415414)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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170n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase A (PKA)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5271837
PNG
Show SMILES [#6]-[#8]-c1ccccc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C15H15N3O3/c1-20-12-4-2-3-5-13(12)21-14(19)10-6-8-11(9-7-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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740n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5270570
PNG
Show SMILES [#6]-[#8]-[#6](=O)-c1ccccc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C16H15N3O4/c1-22-15(21)12-4-2-3-5-13(12)23-14(20)10-6-8-11(9-7-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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744n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50216682
PNG
(1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...)
Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
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3.00E+3n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase A (PKA)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5280643
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)
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3.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50223628
PNG
(CHEMBL1161622)
Show SMILES [H][C@]1([#8]-[#6@H](-[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]P([#8])(=O)[#16]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)-[#6@@H](-[#8])-[#6@H]1-[#8])n1cnc2c(-[#7])ncnc12 |r|
Show InChI InChI=1S/C46H80N19O22P3S/c1-21(2)13-27(39(73)55-16-32(68)69)63-43(77)29(15-54-31(67)18-91-90(82,83)87-89(80,81)86-88(78,79)84-17-30-34(70)35(71)44(85-30)65-20-58-33-36(47)56-19-57-37(33)65)64-38(72)23(5)59-40(74)25(9-7-11-52-45(48)49)61-41(75)26(10-8-12-53-46(50)51)62-42(76)28(14-22(3)4)60-24(6)66/h19-23,25-30,34-35,44,70-71H,7-18H2,1-6H3,(H,54,67)(H,55,73)(H,59,74)(H,60,66)(H,61,75)(H,62,76)(H,63,77)(H,64,72)(H,68,69)(H,78,79)(H,80,81)(H,82,83)(H2,47,56,57)(H4,48,49,52)(H4,50,51,53)/t23-,25-,26-,27-,28-,29?,30+,34+,35+,44+/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of protein kinase A expressed in Escherichia coli


Bioorg Med Chem Lett 14: 2951-4 (2004)


BindingDB Entry DOI: 10.7270/Q2CR5WJF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5266306
PNG
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1-[#8]
Show InChI InChI=1S/C20H25N3O3/c1-2-3-4-5-6-14-9-12-17(13-18(14)24)26-19(25)15-7-10-16(11-8-15)23-20(21)22/h7-13,24H,2-6H2,1H3,(H4,21,22,23)
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8.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5277116
PNG
Show SMILES [#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C18H21N3O3/c1-2-3-12-23-15-8-10-16(11-9-15)24-17(22)13-4-6-14(7-5-13)21-18(19)20/h4-11H,2-3,12H2,1H3,(H4,19,20,21)
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1.39E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5280829
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6](=O)-[#8]-c1cccc2cccnc12
Show InChI InChI=1S/C17H14N4O2/c18-17(19)21-13-8-6-12(7-9-13)16(22)23-14-5-1-3-11-4-2-10-20-15(11)14/h1-10H,(H4,18,19,21)
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1.55E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5279025
PNG
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C17H17N3O4/c1-2-23-15(21)11-5-9-14(10-6-11)24-16(22)12-3-7-13(8-4-12)20-17(18)19/h3-10H,2H2,1H3,(H4,18,19,20)
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1.74E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5268186
PNG
Show SMILES [#6]-[#8]-[#6](=O)-c1cccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c1
Show InChI InChI=1S/C16H15N3O4/c1-22-14(20)11-3-2-4-13(9-11)23-15(21)10-5-7-12(8-6-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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3.54E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5278563
PNG
Show SMILES OC(=O)c1cc(I)c(I)c(I)c1
Show InChI InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
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3.90E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5287370
PNG
Show SMILES [#6]-[#8]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C15H15N3O3/c1-20-12-6-8-13(9-7-12)21-14(19)10-2-4-11(5-3-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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5.40E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5279009
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6](=O)-[#8]-c1ccccc1-[#6](-[#7])=O
Show InChI InChI=1S/C15H14N4O3/c16-13(20)11-3-1-2-4-12(11)22-14(21)9-5-7-10(8-6-9)19-15(17)18/h1-8H,(H2,16,20)(H4,17,18,19)
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5.88E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5276693
PNG
Show SMILES [#6]C([#6])([#6])c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C18H21N3O2/c1-18(2,3)13-6-10-15(11-7-13)23-16(22)12-4-8-14(9-5-12)21-17(19)20/h4-11H,1-3H3,(H4,19,20,21)
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9.55E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5281989
PNG
Show SMILES [#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C16H16N4O3/c1-10(21)19-12-6-8-14(9-7-12)23-15(22)11-2-4-13(5-3-11)20-16(17)18/h2-9H,1H3,(H,19,21)(H4,17,18,20)
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1.42E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5273882
PNG
Show SMILES [#6]-[#6](-[#6])-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C17H19N3O2/c1-11(2)12-5-9-15(10-6-12)22-16(21)13-3-7-14(8-4-13)20-17(18)19/h3-11H,1-2H3,(H4,18,19,20)
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2.10E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5278260
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)
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4.74E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL2393369
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)10-2-1-3-12(8-10)23-13(22)9-4-6-11(7-5-9)21-14(19)20/h1-8H,(H4,19,20,21)
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5.00E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5276685
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)23-13(22)9-1-5-11(6-2-9)21-14(19)20/h1-8H,(H4,19,20,21)
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UniProtKB/SwissProt

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5.00E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5286003
PNG
Show SMILES [#6]-[#6](-[#6])-c1ccc(-[#6])cc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C18H21N3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20/h4-11H,1-3H3,(H4,19,20,21)
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6.22E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5273503
PNG
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]=[#6])ccc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C18H19N3O3/c1-3-4-12-5-10-15(16(11-12)23-2)24-17(22)13-6-8-14(9-7-13)21-18(19)20/h3,5-11H,1,4H2,2H3,(H4,19,20,21)
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6.38E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL5285449
PNG
Show SMILES [#6]-[#8]-c1cccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])c1
Show InChI InChI=1S/C15H15N3O3/c1-20-12-3-2-4-13(9-12)21-14(19)10-5-7-11(8-6-10)18-15(16)17/h2-9H,1H3,(H4,16,17,18)
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1.00E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
CHEMBL2357735
PNG
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H12N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,(H4,17,18,19)
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2.00E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Citation and Details
More data for this
Ligand-Target Pair