Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50027946 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)) | BDBM50256715
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256714
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256723
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256723
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256715
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256717
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256714
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256721
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1 Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256716
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
UniProtKB/SwissProt
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AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256716
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256720
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256722
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256716
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256714
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40) | PDB
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| n/a | n/a | 18.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256723
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41) | PDB
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| n/a | n/a | 18.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256717
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47) | PDB
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| n/a | n/a | 24.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
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| n/a | n/a | 24.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256720
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42) | PDB
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| n/a | n/a | 26.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256715
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256722
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44) | PDB
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| n/a | n/a | 41.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256714
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40) | PDB
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| n/a | n/a | 47.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256721
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1 Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46) | PDB
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| n/a | n/a | 55.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256721
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1 Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46) | PDB
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| n/a | n/a | 62.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256723
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41) | PDB
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| n/a | n/a | 74.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256722
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44) | PDB
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| n/a | n/a | 77.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256716
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256720
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42) | PDB
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| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256715
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
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| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
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PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256722
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44) | PDB
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| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256717
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47) | PDB
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| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256721
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1 Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46) | PDB
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| n/a | n/a | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256720
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42) | PDB
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| n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256717
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47) | PDB
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| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256720
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256715
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256714
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256713
(3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50256719
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SGK (unknown origin) |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50256718
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1 Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SGK (unknown origin) |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50256717
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SGK (unknown origin) |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50256716
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SGK (unknown origin) |
Bioorg Med Chem Lett 19: 834-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5 |
More data for this
Ligand-Target Pair | |
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