Found 272 hits with Last Name = 'kato' and Initial = 'h' 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343939
((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r| Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
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| PDB
Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
MMDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343947
(2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-me...)Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1 Show InChI InChI=1S/C19H28N6O/c1-13-10-16(22-17-11-14(2)24-25-17)23-18(15(13)12-20)21-9-7-5-6-8-19(3,4)26/h10-11,26H,5-9H2,1-4H3,(H3,21,22,23,24,25) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343941
(2-(hexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl...)Show InChI InChI=1S/C17H23N5S/c1-4-5-6-7-8-23-17-14(11-18)12(2)9-15(20-17)19-16-10-13(3)21-22-16/h9-10H,4-8H2,1-3H3,(H2,19,20,21,22) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343945
(2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-py...)Show InChI InChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23) | PDB
MMDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
NCI pathway
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| PDB
Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora C |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343937
(CHEMBL1780257 | N-(4-(3-cyano-4-methyl-6-(5-methyl...)Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1 Show InChI InChI=1S/C19H18N6OS/c1-11-8-17(22-18-9-12(2)24-25-18)23-19(16(11)10-20)27-15-6-4-14(5-7-15)21-13(3)26/h4-9H,1-3H3,(H,21,26)(H2,22,23,24,25) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343942
(2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...)Show InChI InChI=1S/C17H23N5OS/c1-12-9-15(19-16-10-13(2)21-22-16)20-17(14(12)11-18)24-8-6-4-3-5-7-23/h9-10,23H,3-8H2,1-2H3,(H2,19,20,21,22) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343946
(2-(6-hydroxy-6-methylheptylthio)-4-methyl-6-(5-met...)Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1 Show InChI InChI=1S/C19H27N5OS/c1-13-10-16(21-17-11-14(2)23-24-17)22-18(15(13)12-20)26-9-7-5-6-8-19(3,4)25/h10-11,25H,5-9H2,1-4H3,(H2,21,22,23,24) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora B |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343944
(2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-py...)Show InChI InChI=1S/C13H16N6O/c1-8-5-11(16-12-6-9(2)18-19-12)17-13(10(8)7-14)15-3-4-20/h5-6,20H,3-4H2,1-2H3,(H3,15,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50001516
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14) | PDB
UniProtKB/SwissProt
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UniChem
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| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University
Curated by ChEMBL
| Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. |
J Med Chem 35: 4039-44 (1992)
BindingDB Entry DOI: 10.7270/Q2CF9P23 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Yes |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
MMDB
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CHEMBL
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PC sid
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PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of c-SRC |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Fyn |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343943
(2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyraz...)Show InChI InChI=1S/C17H24N6S/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-19)24-8-6-4-3-5-7-18/h9-10H,3-8,18H2,1-2H3,(H2,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
NCI pathway
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50004519
(CHEMBL2181929)Show SMILES CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50318300
(CHEMBL1095097 | EPLERENONE | SC-66110)Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6| Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343940
((R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)Show SMILES C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r| Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m1/s1 | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
Reactome pathway
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora B |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597078
(CHEMBL5181002) | PDB
MMDB
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| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597086
(CHEMBL5187656)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1 | PDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597084
(CHEMBL5174401)Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1 | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597087
(CHEMBL5181278)Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1 | PDB
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| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM82032
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University
Curated by ChEMBL
| Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. |
J Med Chem 35: 4039-44 (1992)
BindingDB Entry DOI: 10.7270/Q2CF9P23 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597084
(CHEMBL5174401)Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1 | PDB
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| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597083
(CHEMBL5171957)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343936
(CHEMBL1780256 | N-(4-(3-cyano-6-(5-methyl-1H-pyraz...)Show SMILES CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1 Show InChI InChI=1S/C26H24N6OS/c1-16(2)25(33)28-19-9-11-20(12-10-19)34-26-22(15-27)21(18-7-5-4-6-8-18)14-23(30-26)29-24-13-17(3)31-32-24/h4-14,16H,1-3H3,(H,28,33)(H2,29,30,31,32) | PDB
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| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of aurora A |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597083
(CHEMBL5171957)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1 | PDB
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| 342 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597078
(CHEMBL5181002) | PDB
UniProtKB/SwissProt
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| 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597087
(CHEMBL5181278)Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1 | PDB
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Glutamate--cysteine ligase catalytic subunit
(Homo sapiens (Human)) | BDBM50366432
(CHEMBL1627263)Show InChI InChI=1S/C9H18N2O5S/c1-2-6(8(12)13)5-17(11,16)4-3-7(10)9(14)15/h6,10,17H,2-5H2,1H3,(H2,11,16)(H,12,13)(H,14,15) | Reactome pathway
KEGG
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| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of Escherichia coli gamma-glutamylcysteine synthetase at a concentration of 5.1 uM |
Bioorg Med Chem Lett 6: 1437-1442 (1996)
Article DOI: 10.1016/S0960-894X(96)00247-8
BindingDB Entry DOI: 10.7270/Q2KH0NV4 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597085
(CHEMBL5183454)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1 | PDB
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| 549 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597081
(CHEMBL5184647)Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1 | PDB
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| 596 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597077
(CHEMBL5172350) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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UniChem
| Article
PubMed
| 607 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597081
(CHEMBL5184647)Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1 | PDB
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| PC cid
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| Article
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| 611 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597086
(CHEMBL5187656)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1 | PDB
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| 626 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597076
(CHEMBL5176336) | PDB
MMDB
KEGG
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| 735 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597068
(CHEMBL5201004) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597085
(CHEMBL5183454)Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1 | PDB
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| 808 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597076
(CHEMBL5176336) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 853 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597080
(CHEMBL5207249)Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1 | PDB
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| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597080
(CHEMBL5207249)Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1 | PDB
MMDB
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| PC cid
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| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50597073
(CHEMBL5182687) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50001513
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12) | PDB
UniProtKB/SwissProt
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| PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University
Curated by ChEMBL
| Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. |
J Med Chem 35: 4039-44 (1992)
BindingDB Entry DOI: 10.7270/Q2CF9P23 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597077
(CHEMBL5172350) | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(RAT) | BDBM50597082
(CHEMBL5204612) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M |
More data for this
Ligand-Target Pair | |
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