Found 30 hits of Enzyme Inhibition Constant Data 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 |
|---|
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of RSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of RSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14029
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 955 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
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| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
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KEGG
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PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
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| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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CHEMBL
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Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
NCI pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IKK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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KEGG
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CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
NCI pathway
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KEGG
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IKK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
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