Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50031045 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 |
|---|
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305879
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305883
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305883
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305882
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305881
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305883
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of P70S6K |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305881
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305880
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305882
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT3 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305883
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305882
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50305881
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of AKT2 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305883
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305880
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305881
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305879
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305879
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305881
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305882
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1 | 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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305882
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50305880
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50305878
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r| Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 679-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F |
More data for this
Ligand-Target Pair | |
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