Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048310 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)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| PDB
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | KEGG
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| | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM6760
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1 | PDB
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| | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50212473
(CHEMBL140600)Show SMILES [H][C@@]12C[C@@](O)(C(O)=O)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m0/s1 | PDB
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| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50280450
(18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1 | PDB
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| | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50280450
(18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1 | PDB
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| | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50280450
(18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1 | KEGG
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| | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50280450
(18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1 | KEGG
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| | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM2581
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) | PDB
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| | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50212474
(CHEMBL423731 | RK-286C)Show SMILES [H][C@]1(O)C[C@]2([H])O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C27H23N3O4/c1-27-25(33-2)18(31)11-19(34-27)29-16-9-5-3-7-13(16)21-22-15(12-28-26(22)32)20-14-8-4-6-10-17(14)30(27)24(20)23(21)29/h3-10,18-19,25,31H,11-12H2,1-2H3,(H,28,32)/t18-,19-,25-,27+/m0/s1 | PDB
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| | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50054426
(7-hydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)Show SMILES OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,19,21-22,24H,(H,23,25) | PDB
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| CHEMBL
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PC sid
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| | n/a | n/a | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM2581
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) | KEGG
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| | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50054426
(7-hydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)Show SMILES OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,19,21-22,24H,(H,23,25) | KEGG
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| | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM2672
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25) | PDB
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| | n/a | n/a | 4.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50054421
(1,11-dichloro-6,7,12,13-tetrahydro-5H-indolo[2,3-a...)Show SMILES Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21 Show InChI InChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27) | PDB
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| | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of protein kinase C |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM2672
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25) | KEGG
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| | 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 A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50162287
((Rebeccamycin)1,11-dichloro-12-(3,4-dihydroxy-6-hy...)Show SMILES CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12 |r| Show InChI InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1 | PDB
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MCE
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UniChem
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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 |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50054421
(1,11-dichloro-6,7,12,13-tetrahydro-5H-indolo[2,3-a...)Show SMILES Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21 Show InChI InChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27) | KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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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 A |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HX1FVJ |
More data for this
Ligand-Target Pair | |
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