Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048354 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213033
(CHEMBL329274)Show SMILES O=C1NC(=O)C(=C1n1ccc2ccccc12)n1ccc2ccccc12 |c:5| Show InChI InChI=1S/C20H13N3O2/c24-19-17(22-11-9-13-5-1-3-7-15(13)22)18(20(25)21-19)23-12-10-14-6-2-4-8-16(14)23/h1-12H,(H,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213033
(CHEMBL329274)Show SMILES O=C1NC(=O)C(=C1n1ccc2ccccc12)n1ccc2ccccc12 |c:5| Show InChI InChI=1S/C20H13N3O2/c24-19-17(22-11-9-13-5-1-3-7-15(13)22)18(20(25)21-19)23-12-10-14-6-2-4-8-16(14)23/h1-12H,(H,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50366348
(CHEMBL1233654)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/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213039
(CHEMBL97768)Show SMILES NCCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9| Show InChI InChI=1S/C19H24N4O2/c20-10-6-2-1-3-7-11-21-17-16(18(24)23-19(17)25)15-12-13-8-4-5-9-14(13)22-15/h4-5,8-9,12,22H,1-3,6-7,10-11,20H2,(H2,21,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50366348
(CHEMBL1233654)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/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213024
(CHEMBL99572)Show SMILES NC(CCCN=C(N)N)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:21,(13.58,-3.7,;15.15,-3.33,;15.75,-1.92,;14.96,-.58,;15.92,.61,;15.38,2.05,;16.55,3.05,;18.06,2.54,;16.29,4.53,;15.94,-4.66,;17.46,-4.35,;15.31,-6.08,;13.77,-6.24,;13.16,-7.65,;11.62,-7.81,;10.71,-6.57,;9.18,-6.71,;8.27,-5.48,;6.74,-5.64,;5.83,-4.39,;4.3,-4.56,;3.39,-3.3,;1.85,-3.3,;1.38,-1.83,;-.09,-1.36,;2.62,-.93,;3.86,-1.83,;5.34,-1.36,;.94,-4.56,;-.6,-4.54,;-1.07,-6.01,;-2.48,-6.64,;-2.64,-8.16,;-1.39,-9.07,;.01,-8.44,;.17,-6.92,;1.41,-6.01,)| Show InChI InChI=1S/C25H37N9O3/c26-17(8-6-12-32-25(27)28)22(35)31-14-13-29-10-4-1-5-11-30-21-20(23(36)34-24(21)37)19-15-16-7-2-3-9-18(16)33-19/h2-3,7,9,15,17,29,33H,1,4-6,8,10-14,26H2,(H,31,35)(H4,27,28,32)(H2,30,34,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213032
(CHEMBL327291)Show SMILES NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7| Show InChI InChI=1S/C17H20N4O2/c18-8-4-1-5-9-19-15-14(16(22)21-17(15)23)13-10-11-6-2-3-7-12(11)20-13/h2-3,6-7,10,20H,1,4-5,8-9,18H2,(H2,19,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213023
(CHEMBL100102)Show SMILES NCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:8| Show InChI InChI=1S/C18H22N4O2/c19-9-5-1-2-6-10-20-16-15(17(23)22-18(16)24)14-11-12-7-3-4-8-13(12)21-14/h3-4,7-8,11,21H,1-2,5-6,9-10,19H2,(H2,20,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213023
(CHEMBL100102)Show SMILES NCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:8| Show InChI InChI=1S/C18H22N4O2/c19-9-5-1-2-6-10-20-16-15(17(23)22-18(16)24)14-11-12-7-3-4-8-13(12)21-14/h3-4,7-8,11,21H,1-2,5-6,9-10,19H2,(H2,20,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213035
(CHEMBL98721)Show SMILES NC(CCCN=C(N)N)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:18,(15.05,-2.55,;16.15,-3.72,;17.66,-3.53,;18.41,-2.18,;19.93,-2.43,;20.89,-1.24,;22.34,-1.76,;22.64,-3.32,;23.48,-.82,;15.38,-5.06,;16.4,-6.21,;13.86,-5.23,;12.96,-3.97,;11.42,-4.14,;10.51,-2.9,;8.98,-3.06,;8.08,-1.8,;6.54,-1.97,;5.65,-.73,;4.09,-.73,;3.62,.74,;2.17,1.21,;4.88,1.65,;6.12,.74,;7.59,1.21,;3.2,-1.97,;1.66,-1.96,;1.17,-3.43,;-.23,-4.04,;-.39,-5.58,;.87,-6.47,;2.27,-5.86,;2.43,-4.32,;3.67,-3.43,)| Show InChI InChI=1S/C23H32N8O3/c24-15(8-6-12-29-23(25)26)20(32)28-11-5-1-4-10-27-19-18(21(33)31-22(19)34)17-13-14-7-2-3-9-16(14)30-17/h2-3,7,9,13,15,30H,1,4-6,8,10-12,24H2,(H,28,32)(H4,25,26,29)(H2,27,31,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213031
(CHEMBL97026)Show InChI InChI=1S/C14H14N4O2/c15-5-6-16-12-11(13(19)18-14(12)20)10-7-8-3-1-2-4-9(8)17-10/h1-4,7,17H,5-6,15H2,(H2,16,18,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213025
(CHEMBL318650)Show SMILES NC(Cc1ccccc1)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:22| Show InChI InChI=1S/C28H34N6O3/c29-21(17-19-9-3-1-4-10-19)26(35)32-16-15-30-13-7-2-8-14-31-25-24(27(36)34-28(25)37)23-18-20-11-5-6-12-22(20)33-23/h1,3-6,9-12,18,21,30,33H,2,7-8,13-17,29H2,(H,32,35)(H2,31,34,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213038
(CHEMBL95737)Show SMILES NCCCNCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9| Show InChI InChI=1S/C18H23N5O2/c19-7-3-8-20-9-4-10-21-16-15(17(24)23-18(16)25)14-11-12-5-1-2-6-13(12)22-14/h1-2,5-6,11,20,22H,3-4,7-10,19H2,(H2,21,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213031
(CHEMBL97026)Show InChI InChI=1S/C14H14N4O2/c15-5-6-16-12-11(13(19)18-14(12)20)10-7-8-3-1-2-4-9(8)17-10/h1-4,7,17H,5-6,15H2,(H2,16,18,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213026
(CHEMBL95812)Show SMILES NC(CCC(O)=O)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:16| Show InChI InChI=1S/C22H27N5O5/c23-14(8-9-17(28)29)20(30)25-11-5-1-4-10-24-19-18(21(31)27-22(19)32)16-12-13-6-2-3-7-15(13)26-16/h2-3,6-7,12,14,26H,1,4-5,8-11,23H2,(H,25,30)(H,28,29)(H2,24,27,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213036
(CHEMBL97448)Show SMILES NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:10| Show InChI InChI=1S/C19H25N5O2/c20-8-11-21-9-4-1-5-10-22-17-16(18(25)24-19(17)26)15-12-13-6-2-3-7-14(13)23-15/h2-3,6-7,12,21,23H,1,4-5,8-11,20H2,(H2,22,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213022
(CHEMBL97796)Show SMILES NCCNCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7| Show InChI InChI=1S/C16H19N5O2/c17-5-6-18-7-8-19-14-13(15(22)21-16(14)23)12-9-10-3-1-2-4-11(10)20-12/h1-4,9,18,20H,5-8,17H2,(H2,19,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50213037
(CHEMBL93559)Show SMILES NC(Cc1ccccc1)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:19| Show InChI InChI=1S/C26H29N5O3/c27-19(15-17-9-3-1-4-10-17)24(32)29-14-8-2-7-13-28-23-22(25(33)31-26(23)34)21-16-18-11-5-6-12-20(18)30-21/h1,3-6,9-12,16,19,30H,2,7-8,13-15,27H2,(H,29,32)(H2,28,31,33,34) | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C (PKC) using histone III S protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213025
(CHEMBL318650)Show SMILES NC(Cc1ccccc1)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:22| Show InChI InChI=1S/C28H34N6O3/c29-21(17-19-9-3-1-4-10-19)26(35)32-16-15-30-13-7-2-8-14-31-25-24(27(36)34-28(25)37)23-18-20-11-5-6-12-22(20)33-23/h1,3-6,9-12,18,21,30,33H,2,7-8,13-17,29H2,(H,32,35)(H2,31,34,36,37) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213039
(CHEMBL97768)Show SMILES NCCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9| Show InChI InChI=1S/C19H24N4O2/c20-10-6-2-1-3-7-11-21-17-16(18(24)23-19(17)25)15-12-13-8-4-5-9-14(13)22-15/h4-5,8-9,12,22H,1-3,6-7,10-11,20H2,(H2,21,23,24,25) | PDB
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UniChem
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| | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213024
(CHEMBL99572)Show SMILES NC(CCCN=C(N)N)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:21,(13.58,-3.7,;15.15,-3.33,;15.75,-1.92,;14.96,-.58,;15.92,.61,;15.38,2.05,;16.55,3.05,;18.06,2.54,;16.29,4.53,;15.94,-4.66,;17.46,-4.35,;15.31,-6.08,;13.77,-6.24,;13.16,-7.65,;11.62,-7.81,;10.71,-6.57,;9.18,-6.71,;8.27,-5.48,;6.74,-5.64,;5.83,-4.39,;4.3,-4.56,;3.39,-3.3,;1.85,-3.3,;1.38,-1.83,;-.09,-1.36,;2.62,-.93,;3.86,-1.83,;5.34,-1.36,;.94,-4.56,;-.6,-4.54,;-1.07,-6.01,;-2.48,-6.64,;-2.64,-8.16,;-1.39,-9.07,;.01,-8.44,;.17,-6.92,;1.41,-6.01,)| Show InChI InChI=1S/C25H37N9O3/c26-17(8-6-12-32-25(27)28)22(35)31-14-13-29-10-4-1-5-11-30-21-20(23(36)34-24(21)37)19-15-16-7-2-3-9-18(16)33-19/h2-3,7,9,15,17,29,33H,1,4-6,8,10-14,26H2,(H,31,35)(H4,27,28,32)(H2,30,34,36,37) | PDB
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| CHEMBL
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PC sid
UniChem
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| | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213032
(CHEMBL327291)Show SMILES NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7| Show InChI InChI=1S/C17H20N4O2/c18-8-4-1-5-9-19-15-14(16(22)21-17(15)23)13-10-11-6-2-3-7-12(11)20-13/h2-3,6-7,10,20H,1,4-5,8-9,18H2,(H2,19,21,22,23) | PDB
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UniChem
Similars
| | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213022
(CHEMBL97796)Show SMILES NCCNCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7| Show InChI InChI=1S/C16H19N5O2/c17-5-6-18-7-8-19-14-13(15(22)21-16(14)23)12-9-10-3-1-2-4-11(10)20-12/h1-4,9,18,20H,5-8,17H2,(H2,19,21,22,23) | PDB
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UniChem
Similars
| | n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213038
(CHEMBL95737)Show SMILES NCCCNCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9| Show InChI InChI=1S/C18H23N5O2/c19-7-3-8-20-9-4-10-21-16-15(17(24)23-18(16)25)14-11-12-5-1-2-6-13(12)22-14/h1-2,5-6,11,20,22H,3-4,7-10,19H2,(H2,21,23,24,25) | PDB
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UniChem
Similars
| | n/a | n/a | 3.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213026
(CHEMBL95812)Show SMILES NC(CCC(O)=O)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:16| Show InChI InChI=1S/C22H27N5O5/c23-14(8-9-17(28)29)20(30)25-11-5-1-4-10-24-19-18(21(31)27-22(19)32)16-12-13-6-2-3-7-15(13)26-16/h2-3,6-7,12,14,26H,1,4-5,8-11,23H2,(H,25,30)(H,28,29)(H2,24,27,31,32) | PDB
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UniChem
Similars
| | n/a | n/a | 3.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50213036
(CHEMBL97448)Show SMILES NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:10| Show InChI InChI=1S/C19H25N5O2/c20-8-11-21-9-4-1-5-10-22-17-16(18(25)24-19(17)26)15-12-13-6-2-3-7-14(13)23-15/h2-3,6-7,12,21,23H,1,4-5,8-11,20H2,(H2,22,24,25,26) | PDB
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| | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0 |
More data for this
Ligand-Target Pair | |
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