Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50040677 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 |
|---|
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM26626
((5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,...)Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17) | PDB
MMDB
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| CHEMBL
MMDB
PC cid
PC sid
UniChem
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| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM26626
((5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,...)Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17) | PDB
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM2 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | PDB
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| Article
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50398243
(CHEMBL2177299)Show SMILES OC(=O)c1cc2c(ccc3cc4c5cc(oc5ccc4cc23)C(O)=O)o1 Show InChI InChI=1S/C20H10O6/c21-19(22)17-7-13-11-6-10-2-4-16-14(8-18(26-16)20(23)24)12(10)5-9(11)1-3-15(13)25-17/h1-8H,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 using KKRNRTLTV as substrate after 5 mins by scintillation counter in presence of [gamma-32P]ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | PDB
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| Article
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of haspin |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM28394
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+ | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM2 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | PDB
NCI pathway
Reactome pathway
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| Article
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM26673
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM28394
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+ | PDB
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| Article
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50398243
(CHEMBL2177299)Show SMILES OC(=O)c1cc2c(ccc3cc4c5cc(oc5ccc4cc23)C(O)=O)o1 Show InChI InChI=1S/C20H10O6/c21-19(22)17-7-13-11-6-10-2-4-16-14(8-18(26-16)20(23)24)12(10)5-9(11)1-3-15(13)25-17/h1-8H,(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of CK2alpha using RRREDEESDDEE as substrate after 5 mins by scintillation counter in presence of [gamma-32P]ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-3
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | KEGG
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM3 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM2 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive inhibition of PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB
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| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive binding affinity to PIM2 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB
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| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals
Curated by ChEMBL
| Assay Description
Competitive binding affinity to PIM1 in presence of ATP |
J Med Chem 55: 8199-208 (2012)
Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T |
More data for this
Ligand-Target Pair | |
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