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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'liu' and Initial = 'zy'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TrkA


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fgr


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PhKg2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112465
BindingDB Entry DOI: 10.7270/Q23X8BCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 13.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SAPK2a


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 17.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 18.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cSrc


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins followed by NADPH addition and measured after 20 min...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112465
BindingDB Entry DOI: 10.7270/Q23X8BCZ
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 30.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 34.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and measured after...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112465
BindingDB Entry DOI: 10.7270/Q23X8BCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 9


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 44.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MLK1


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLT4


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 68.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 72.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Itk


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 99.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of WNK3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129663
PNG
(3-But-3-enoylamino-pyridine-2-carboxylic acid thia...)
Show SMILES C=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N4O2S/c1-2-4-10(18)16-9-5-3-6-14-11(9)12(19)17-13-15-7-8-20-13/h2-3,5-8H,1,4H2,(H,16,18)(H,15,17,19)
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n/an/a 130n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129648
PNG
(3-(4-Methyl-pent-3-enoylamino)-pyridine-2-carboxyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6](=O)-[#7]-c1cccnc1-[#6](=O)-[#7]-c1nccs1
Show InChI InChI=1S/C15H16N4O2S/c1-10(2)5-6-12(20)18-11-4-3-7-16-13(11)14(21)19-15-17-8-9-22-15/h3-5,7-9H,6H2,1-2H3,(H,18,20)(H,17,19,21)
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n/an/a 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129660
PNG
(3-(3-Methyl-but-3-enoylamino)-pyridine-2-carboxyli...)
Show SMILES CC(=C)CC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H14N4O2S/c1-9(2)8-11(19)17-10-4-3-5-15-12(10)13(20)18-14-16-6-7-21-14/h3-7H,1,8H2,2H3,(H,17,19)(H,16,18,20)
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n/an/a 150n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM17847
PNG
(CHEMBL327579 | pyridine-2-carboxylic acid inhibito...)
Show SMILES CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a 180n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129642
PNG
(CHEMBL86427 | Phenyl-acetic acid 2-(thiazol-2-ylca...)
Show SMILES O=C(Cc1ccccc1)Oc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H13N3O3S/c21-14(11-12-5-2-1-3-6-12)23-13-7-4-8-18-15(13)16(22)20-17-19-9-10-24-17/h1-10H,11H2,(H,19,20,22)
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n/an/a 200n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129640
PNG
(3-(3-Methyl-but-2-enoylamino)-pyridine-2-carboxyli...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1cccnc1-[#6](=O)-[#7]-c1nccs1
Show InChI InChI=1S/C14H14N4O2S/c1-9(2)8-11(19)17-10-4-3-5-15-12(10)13(20)18-14-16-6-7-21-14/h3-8H,1-2H3,(H,17,19)(H,16,18,20)
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n/an/a 220n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129648
PNG
(3-(4-Methyl-pent-3-enoylamino)-pyridine-2-carboxyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6](=O)-[#7]-c1cccnc1-[#6](=O)-[#7]-c1nccs1
Show InChI InChI=1S/C15H16N4O2S/c1-10(2)5-6-12(20)18-11-4-3-7-16-13(11)14(21)19-15-17-8-9-22-15/h3-5,7-9H,6H2,1-2H3,(H,18,20)(H,17,19,21)
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n/an/a 240n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129672
PNG
(3-Propionylamino-pyridine-2-carboxylic acid thiazo...)
Show SMILES CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C12H12N4O2S/c1-2-9(17)15-8-4-3-5-13-10(8)11(18)16-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,15,17)(H,14,16,18)
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n/an/a 260n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129672
PNG
(3-Propionylamino-pyridine-2-carboxylic acid thiazo...)
Show SMILES CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C12H12N4O2S/c1-2-9(17)15-8-4-3-5-13-10(8)11(18)16-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,15,17)(H,14,16,18)
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n/an/a 260n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli methionine aminopeptidase 1


Bioorg Med Chem Lett 15: 635-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.034
BindingDB Entry DOI: 10.7270/Q2222T7R
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129657
PNG
(3-(2-Fluoro-benzoylamino)-pyridine-2-carboxylic ac...)
Show SMILES Fc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C16H11FN4O2S/c17-11-5-2-1-4-10(11)14(22)20-12-6-3-7-18-13(12)15(23)21-16-19-8-9-24-16/h1-9H,(H,20,22)(H,19,21,23)
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n/an/a 280n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129674
PNG
(3-(2-Methyl-but-2-enoylamino)-pyridine-2-carboxyli...)
Show SMILES C\C=C(/C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H14N4O2S/c1-3-9(2)12(19)17-10-5-4-6-15-11(10)13(20)18-14-16-7-8-21-14/h3-8H,1-2H3,(H,17,19)(H,16,18,20)/b9-3+
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n/an/a 280n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129669
PNG
(3-(5-Methyl-hex-4-enoylamino)-pyridine-2-carboxyli...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=O)-[#7]-c1cccnc1-[#6](=O)-[#7]-c1nccs1
Show InChI InChI=1S/C16H18N4O2S/c1-11(2)5-3-7-13(21)19-12-6-4-8-17-14(12)15(22)20-16-18-9-10-23-16/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,18,20,22)
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n/an/a 310n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129649
PNG
(CHEMBL315098 | Cyclohexanecarboxylic acid 2-(thiaz...)
Show SMILES O=C(Oc1cccnc1C(=O)Nc1nccs1)C1CCCCC1
Show InChI InChI=1S/C16H17N3O3S/c20-14(19-16-18-9-10-23-16)13-12(7-4-8-17-13)22-15(21)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19,20)
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n/an/a 320n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129635
PNG
(3-Formylamino-pyridine-2-carboxylic acid thiazol-2...)
Show SMILES O=CNc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H8N4O2S/c15-6-13-7-2-1-3-11-8(7)9(16)14-10-12-4-5-17-10/h1-6H,(H,13,15)(H,12,14,16)
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n/an/a 320n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129635
PNG
(3-Formylamino-pyridine-2-carboxylic acid thiazol-2...)
Show SMILES O=CNc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H8N4O2S/c15-6-13-7-2-1-3-11-8(7)9(16)14-10-12-4-5-17-10/h1-6H,(H,13,15)(H,12,14,16)
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n/an/a 330n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a 340n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129670
PNG
(3-(2,2,2-Trifluoro-acetylamino)-pyridine-2-carboxy...)
Show SMILES FC(F)(F)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C11H7F3N4O2S/c12-11(13,14)9(20)17-6-2-1-3-15-7(6)8(19)18-10-16-4-5-21-10/h1-5H,(H,17,20)(H,16,18,19)
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n/an/a 340n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129672
PNG
(3-Propionylamino-pyridine-2-carboxylic acid thiazo...)
Show SMILES CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C12H12N4O2S/c1-2-9(17)15-8-4-3-5-13-10(8)11(18)16-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,15,17)(H,14,16,18)
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n/an/a 350n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129672
PNG
(3-Propionylamino-pyridine-2-carboxylic acid thiazo...)
Show SMILES CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C12H12N4O2S/c1-2-9(17)15-8-4-3-5-13-10(8)11(18)16-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,15,17)(H,14,16,18)
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n/an/a 350n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Saccharomyces cerevisiae methionine aminopeptidase 1


Bioorg Med Chem Lett 15: 635-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.034
BindingDB Entry DOI: 10.7270/Q2222T7R
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129656
PNG
(3-Hexanoylamino-pyridine-2-carboxylic acid thiazol...)
Show SMILES CCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C15H18N4O2S/c1-2-3-4-7-12(20)18-11-6-5-8-16-13(11)14(21)19-15-17-9-10-22-15/h5-6,8-10H,2-4,7H2,1H3,(H,18,20)(H,17,19,21)
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n/an/a 380n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli methionine aminopeptidase 1


Bioorg Med Chem Lett 15: 635-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.034
BindingDB Entry DOI: 10.7270/Q2222T7R
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129656
PNG
(3-Hexanoylamino-pyridine-2-carboxylic acid thiazol...)
Show SMILES CCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C15H18N4O2S/c1-2-3-4-7-12(20)18-11-6-5-8-16-13(11)14(21)19-15-17-9-10-22-15/h5-6,8-10H,2-4,7H2,1H3,(H,18,20)(H,17,19,21)
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n/an/a 380n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129650
PNG
(CHEMBL314448 | Propionic acid 2-(thiazol-2-ylcarba...)
Show SMILES CCC(=O)Oc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C12H11N3O3S/c1-2-9(16)18-8-4-3-5-13-10(8)11(17)15-12-14-6-7-19-12/h3-7H,2H2,1H3,(H,14,15,17)
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n/an/a 380n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129663
PNG
(3-But-3-enoylamino-pyridine-2-carboxylic acid thia...)
Show SMILES C=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N4O2S/c1-2-4-10(18)16-9-5-3-6-14-11(9)12(19)17-13-15-7-8-20-13/h2-3,5-8H,1,4H2,(H,16,18)(H,15,17,19)
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n/an/a 380n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129641
PNG
(2-Methyl-but-2-enoic acid 2-(thiazol-2-ylcarbamoyl...)
Show SMILES C\C=C(/C)C(=O)Oc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H13N3O3S/c1-3-9(2)13(19)20-10-5-4-6-15-11(10)12(18)17-14-16-7-8-21-14/h3-8H,1-2H3,(H,16,17,18)/b9-3+
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n/an/a 390n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129666
PNG
(3-Phenylacetylamino-pyridine-2-carboxylic acid thi...)
Show SMILES O=C(Cc1ccccc1)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H14N4O2S/c22-14(11-12-5-2-1-3-6-12)20-13-7-4-8-18-15(13)16(23)21-17-19-9-10-24-17/h1-10H,11H2,(H,20,22)(H,19,21,23)
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n/an/a 400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129646
PNG
(3-Methyl-but-2-enoic acid 2-(thiazol-2-ylcarbamoyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-c1cccnc1-[#6](=O)-[#7]-c1nccs1
Show InChI InChI=1S/C14H13N3O3S/c1-9(2)8-11(18)20-10-4-3-5-15-12(10)13(19)17-14-16-6-7-21-14/h3-8H,1-2H3,(H,16,17,19)
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n/an/a 490n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM17849
PNG
(3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)py...)
Show SMILES CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))
BDBM50129642
PNG
(CHEMBL86427 | Phenyl-acetic acid 2-(thiazol-2-ylca...)
Show SMILES O=C(Cc1ccccc1)Oc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H13N3O3S/c21-14(11-12-5-2-1-3-6-12)23-13-7-4-8-18-15(13)16(22)20-17-19-9-10-24-17/h1-10H,11H2,(H,19,20,22)
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM50129675
PNG
(2-Methoxy-benzoic acid 2-(thiazol-2-ylcarbamoyl)-p...)
Show SMILES COc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H13N3O4S/c1-23-12-6-3-2-5-11(12)16(22)24-13-7-4-8-18-14(13)15(21)20-17-19-9-10-25-17/h2-10H,1H3,(H,19,20,21)
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n/an/a 550n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae


J Med Chem 46: 2631-40 (2003)


Article DOI: 10.1021/jm0300532
BindingDB Entry DOI: 10.7270/Q2CF9QTC
More data for this
Ligand-Target Pair
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