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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'addlagatta' and Initial = 'a'   
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
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50078539
PNG
(CHEMBL3414950)
Show SMILES CCCC(CCC)C(N)P(O)(O)=O
Show InChI InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)
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4.90E+3n/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))
BDBM50337147
PNG
((RS)-1-amino-3-cyclohexylpropylphosphonic acid | C...)
Show SMILES NC(CCC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C9H20NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,10H2,(H2,11,12,13)
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9.90E+3n/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
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)
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 Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50337150
PNG
((RS)-1-amino-2-cyclohexylethylphosphonic acid | CH...)
Show SMILES NC(CC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)
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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 Type 1 (MetAP1)


(Homo sapiens (human))
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 1.50E+3n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
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 2.90E+3n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM17850
PNG
(3-(3-phenylpropanamido)-N-(1,3-thiazol-2-yl)pyridi...)
Show SMILES O=C(CCc1ccccc1)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C18H16N4O2S/c23-15(9-8-13-5-2-1-3-6-13)21-14-7-4-10-19-16(14)17(24)22-18-20-11-12-25-18/h1-7,10-12H,8-9H2,(H,21,23)(H,20,22,24)
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n/an/a 3.50E+3n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM17851
PNG
(3-[(E)-(2-methylpropylidene)amino]-N-(1,3-thiazol-...)
Show SMILES CC(C)C=Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H14N4OS/c1-9(2)8-16-10-4-3-5-14-11(10)12(18)17-13-15-6-7-19-13/h3-9H,1-2H3,(H,15,17,18)
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n/an/a 6.40E+3n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50062530
PNG
(CHEMBL3397584)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccccc3)nn2)C1
Show InChI InChI=1S/C28H28ClN5O5/c1-35-25-10-19(11-26(36-2)27(25)37-3)24-12-23(39-32-24)17-38-16-22-15-34(33-31-22)14-21-9-20(13-30-28(21)29)18-7-5-4-6-8-18/h4-11,13,15,23H,12,14,16-17H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50062531
PNG
(CHEMBL3397585)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccc(C)cc3)nn2)C1
Show InChI InChI=1S/C29H30ClN5O5/c1-18-5-7-19(8-6-18)21-9-22(29(30)31-13-21)14-35-15-23(32-34-35)16-39-17-24-12-25(33-40-24)20-10-26(36-2)28(38-4)27(11-20)37-3/h5-11,13,15,24H,12,14,16-17H2,1-4H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
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>3.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM17852
PNG
(3-octanamido-N-(1,3-thiazol-2-yl)pyridine-2-carbox...)
Show SMILES CCCCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H22N4O2S/c1-2-3-4-5-6-9-14(22)20-13-8-7-10-18-15(13)16(23)21-17-19-11-12-24-17/h7-8,10-12H,2-6,9H2,1H3,(H,20,22)(H,19,21,23)
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n/an/a>5.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17850
PNG
(3-(3-phenylpropanamido)-N-(1,3-thiazol-2-yl)pyridi...)
Show SMILES O=C(CCc1ccccc1)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C18H16N4O2S/c23-15(9-8-13-5-2-1-3-6-13)21-14-7-4-10-19-16(14)17(24)22-18-20-11-12-25-18/h1-7,10-12H,8-9H2,(H,21,23)(H,20,22,24)
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n/an/a>5.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17852
PNG
(3-octanamido-N-(1,3-thiazol-2-yl)pyridine-2-carbox...)
Show SMILES CCCCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H22N4O2S/c1-2-3-4-5-6-9-14(22)20-13-8-7-10-18-15(13)16(23)21-17-19-11-12-24-17/h7-8,10-12H,2-6,9H2,1H3,(H,20,22)(H,19,21,23)
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n/an/a>5.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
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>5.00E+5n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM17851
PNG
(3-[(E)-(2-methylpropylidene)amino]-N-(1,3-thiazol-...)
Show SMILES CC(C)C=Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H14N4OS/c1-9(2)8-16-10-4-3-5-14-11(10)12(18)17-13-15-6-7-19-13/h3-9H,1-2H3,(H,15,17,18)
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n/an/a>1.00E+6n/an/an/an/a7.522



Johns Hopkins University



Assay Description
The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed c...


Proc Natl Acad Sci U S A 103: 18148-53 (2006)


Article DOI: 10.1073/pnas.0608389103
BindingDB Entry DOI: 10.7270/Q2RB72VK
More data for this
Ligand-Target Pair