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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 145.1
BDBM32203
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Wt: 190.1
BDBM64987
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Wt: 179.6
BDBM76305
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Wt: 156.1
BDBM50042874
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Wt: 159.1
BDBM50065785
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Wt: 195.2
BDBM50078834
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Wt: 201.2
BDBM50121347
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Wt: 162.1
BDBM50137354
Wt: 196.2
BDBM50180731
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Wt: 197.1
BDBM50180741
Wt: 197.1
BDBM50180746
Wt: 196.2
BDBM50180747
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Wt: 187.1
BDBM50316031
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Wt: 181.1
BDBM50078540
Wt: 193.1
BDBM50078541
Displayed 1 to 15 (of 250 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 86 hits in this display   
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
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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3.95E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50078540
PNG
(CHEMBL1673077)
Show SMILES CCCC(C)C(N)P(O)(O)=O
Show InChI InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)
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5.48E+4n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50316031
PNG
(CHEMBL1090366 | amino(phenyl)methylphosphonic acid)
Show SMILES NC(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)
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1.12E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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1.54E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50137354
PNG
(CHEMBL164406 | [((R)-2-Amino-propionyl)-hydroxy-am...)
Show SMILES C[C@@H](N)C(=O)N(O)CC(O)=O
Show InChI InChI=1S/C5H10N2O4/c1-3(6)5(10)7(11)2-4(8)9/h3,11H,2,6H2,1H3,(H,8,9)/t3-/m1/s1
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1.80E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Methionine aminopeptidase 1


Bioorg Med Chem Lett 14: 77-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.031
BindingDB Entry DOI: 10.7270/Q2DV1J90
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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2.14E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


J Med Chem 52: 48-61 (2009)


Article DOI: 10.1021/jm8008019
BindingDB Entry DOI: 10.7270/Q28P60BR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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2.45E+5n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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2.72E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of cathepsin B (unknown origin) exopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex


J Med Chem 56: 521-33 (2013)


Article DOI: 10.1021/jm301544x
BindingDB Entry DOI: 10.7270/Q24Q7W9J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50078541
PNG
(CHEMBL3414949)
Show SMILES NC(C1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H16NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H2,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Human MetAP1b using Met-pNA as substrate


J Med Chem 58: 2350-7 (2015)


Article DOI: 10.1021/jm501790e
BindingDB Entry DOI: 10.7270/Q2C53NJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50137354
PNG
(CHEMBL164406 | [((R)-2-Amino-propionyl)-hydroxy-am...)
Show SMILES C[C@@H](N)C(=O)N(O)CC(O)=O
Show InChI InChI=1S/C5H10N2O4/c1-3(6)5(10)7(11)2-4(8)9/h3,11H,2,6H2,1H3,(H,8,9)/t3-/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 77-9 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.031
BindingDB Entry DOI: 10.7270/Q2DV1J90
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/a 55n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST/His6-tagged methionine aminopeptidase 2 expressed in baculovirus infected sf9 cells using ...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a>100n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a>100n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50180731
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11/h1-7H,(H,13,14,15)
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n/an/a 105n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50180741
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyrazine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2nccnc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-11-7(3-1)8-14-9-10(15-8)13-6-5-12-9/h1-6H,(H,12,13,14,15)
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n/an/a 240n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50180746
PNG
(8-(pyridin-2-yl)-7H-purine | 8-pyridin-2-yl-7(9)H-...)
Show SMILES c1ccc(nc1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-12-7(3-1)10-14-8-5-11-6-13-9(8)15-10/h1-6H,(H,11,13,14,15)
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n/an/a 376n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 472n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50180747
PNG
(2-pyridin-2-yl-1H-imidazo[4,5-c]pyridine | CHEMBL2...)
Show SMILES c1ccc(nc1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-5-13-9(3-1)11-14-8-4-6-12-7-10(8)15-11/h1-7H,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50078834
PNG
(2-(pyridin-2-yl)-1H-benzo[d]imidazole | 2-pyridin-...)
Show SMILES c1ccc(nc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
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n/an/a 574n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/a 1.27E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 1.27E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST/His6-tagged methionine aminopeptidase 2 expressed in baculovirus infected sf9 cells using ...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50065785
PNG
(2-Methyl-quinolin-8-ol | CHEMBL316892)
Show SMILES Cc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST/His6-tagged methionine aminopeptidase 2 expressed in baculovirus infected sf9 cells using ...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 2.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50180747
PNG
(2-pyridin-2-yl-1H-imidazo[4,5-c]pyridine | CHEMBL2...)
Show SMILES c1ccc(nc1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-5-13-9(3-1)11-14-8-4-6-12-7-10(8)15-11/h1-7H,(H,14,15)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50180747
PNG
(2-pyridin-2-yl-1H-imidazo[4,5-c]pyridine | CHEMBL2...)
Show SMILES c1ccc(nc1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-5-13-9(3-1)11-14-8-4-6-12-7-10(8)15-11/h1-7H,(H,14,15)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/a 1.29E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 1.29E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged methionine aminopeptidase 1 expressed in Escherichia coli BL21(DE3) using methionylprolyl-p-ni...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50078834
PNG
(2-(pyridin-2-yl)-1H-benzo[d]imidazole | 2-pyridin-...)
Show SMILES c1ccc(nc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP


J Med Chem 45: 5410-3 (2002)


Article DOI: 10.1021/jm020977+
BindingDB Entry DOI: 10.7270/Q2TT4Q9K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50065785
PNG
(2-Methyl-quinolin-8-ol | CHEMBL316892)
Show SMILES Cc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50065785
PNG
(2-Methyl-quinolin-8-ol | CHEMBL316892)
Show SMILES Cc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50065785
PNG
(2-Methyl-quinolin-8-ol | CHEMBL316892)
Show SMILES Cc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged methionine aminopeptidase 1 expressed in Escherichia coli BL21(DE3) using methionylprolyl-p-ni...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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n/an/a>1.50E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged methionine aminopeptidase 1 expressed in Escherichia coli BL21(DE3) using methionylprolyl-p-ni...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 2.15E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50180731
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11/h1-7H,(H,13,14,15)
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n/an/a 2.67E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50180731
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C11H8N4/c1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11/h1-7H,(H,13,14,15)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50078834
PNG
(2-(pyridin-2-yl)-1H-benzo[d]imidazole | 2-pyridin-...)
Show SMILES c1ccc(nc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
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n/an/a 2.84E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...


J Med Chem 57: 669-76 (2014)


Article DOI: 10.1021/jm4012164
BindingDB Entry DOI: 10.7270/Q2GH9KDZ
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50065785
PNG
(2-Methyl-quinolin-8-ol | CHEMBL316892)
Show SMILES Cc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...


J Med Chem 57: 669-76 (2014)


Article DOI: 10.1021/jm4012164
BindingDB Entry DOI: 10.7270/Q2GH9KDZ
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50180746
PNG
(8-(pyridin-2-yl)-7H-purine | 8-pyridin-2-yl-7(9)H-...)
Show SMILES c1ccc(nc1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-12-7(3-1)10-14-8-5-11-6-13-9(8)15-10/h1-6H,(H,11,13,14,15)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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n/an/a 3.42E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50180746
PNG
(8-(pyridin-2-yl)-7H-purine | 8-pyridin-2-yl-7(9)H-...)
Show SMILES c1ccc(nc1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-12-7(3-1)10-14-8-5-11-6-13-9(8)15-10/h1-6H,(H,11,13,14,15)
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n/an/a 3.64E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50180741
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyrazine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2nccnc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-11-7(3-1)8-14-9-10(15-8)13-6-5-12-9/h1-6H,(H,12,13,14,15)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 4.47E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 4.78E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM50180741
PNG
(2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyrazine | 2-pyr...)
Show SMILES c1ccc(nc1)-c1nc2nccnc2[nH]1
Show InChI InChI=1S/C10H7N5/c1-2-4-11-7(3-1)8-14-9-10(15-8)13-6-5-12-9/h1-6H,(H,12,13,14,15)
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n/an/a 4.84E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
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