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Compile Data Set for Download or QSAR

Found 515 hits with Last Name = 'bomke' and Initial = 'j'   
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 2


(Homo sapiens (Human))		BDBM50524862
PNG
(CHEMBL4475680)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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 0.160n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50524862
PNG
(CHEMBL4475680)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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 0.160n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
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 0.900n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401307
PNG
(US10005756, Compound A78)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
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 0.900n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531163
PNG
(CHEMBL4464946)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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 4.30n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531163
PNG
(CHEMBL4464946)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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 4.30n/an/an/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 b...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Competitive binding affinity to FAK kinase domain (410 to 689) (unknown origin) assessed as phosphorylation of p(Glu/Tyr) in presence of ATP

Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531149
PNG
(CHEMBL4572028)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H15Cl2FN4O3/c20-11-3-10(4-12(22)5-11)7-25-17(27)19(29)1-2-26(18(19)28)13-6-14-15(21)9-24-16(14)23-8-13/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531149
PNG
(CHEMBL4572028)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H15Cl2FN4O3/c20-11-3-10(4-12(22)5-11)7-25-17(27)19(29)1-2-26(18(19)28)13-6-14-15(21)9-24-16(14)23-8-13/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531146
PNG
(CHEMBL4463138)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C20H17ClFN3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531146
PNG
(CHEMBL4463138)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C20H17ClFN3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401308
PNG
(US10005756, Compound A79)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531155
PNG
(CHEMBL4553094)
Show SMILES Cc1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C21H19ClFN3O3/c1-12-6-14-9-17(2-3-18(14)25-12)26-5-4-21(29,20(26)28)19(27)24-11-13-7-15(22)10-16(23)8-13/h2-3,6-10,25,29H,4-5,11H2,1H3,(H,24,27)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531155
PNG
(CHEMBL4553094)
Show SMILES Cc1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C21H19ClFN3O3/c1-12-6-14-9-17(2-3-18(14)25-12)26-5-4-21(29,20(26)28)19(27)24-11-13-7-15(22)10-16(23)8-13/h2-3,6-10,25,29H,4-5,11H2,1H3,(H,24,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531162
PNG
(CHEMBL4445117)
Show SMILES CCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C23H22ClFN4O4/c1-2-26-20(30)19-10-14-9-17(3-4-18(14)28-19)29-6-5-23(33,22(29)32)21(31)27-12-13-7-15(24)11-16(25)8-13/h3-4,7-11,28,33H,2,5-6,12H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531162
PNG
(CHEMBL4445117)
Show SMILES CCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C23H22ClFN4O4/c1-2-26-20(30)19-10-14-9-17(3-4-18(14)28-19)29-6-5-23(33,22(29)32)21(31)27-12-13-7-15(24)11-16(25)8-13/h3-4,7-11,28,33H,2,5-6,12H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50524862
PNG
(CHEMBL4475680)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50524862
PNG
(CHEMBL4475680)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531157
PNG
(CHEMBL4550096)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1F |r|
Show InChI InChI=1S/C21H18ClF2N3O4/c22-15-9-13(23)7-12(18(15)24)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531157
PNG
(CHEMBL4550096)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(Cl)c1F |r|
Show InChI InChI=1S/C21H18ClF2N3O4/c22-15-9-13(23)7-12(18(15)24)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531161
PNG
(CHEMBL4448724)
Show SMILES O[C@@]1(CCN(C1=O)c1cnc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-24-17(26)19(28)2-4-25(18(19)27)15-7-12-1-3-22-16(12)23-10-15/h1,3,5-8,10,28H,2,4,9H2,(H,22,23)(H,24,26)/t19-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531163
PNG
(CHEMBL4464946)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531163
PNG
(CHEMBL4464946)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531150
PNG
(CHEMBL4460444)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ncc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-22-17(26)19(28)3-4-25(18(19)27)15-1-2-16-12(7-15)10-23-24-16/h1-2,5-8,10,28H,3-4,9H2,(H,22,26)(H,23,24)/t19-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531150
PNG
(CHEMBL4460444)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2[nH]ncc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClFN4O3/c20-13-5-11(6-14(21)8-13)9-22-17(26)19(28)3-4-25(18(19)27)15-1-2-16-12(7-15)10-23-24-16/h1-2,5-8,10,28H,3-4,9H2,(H,22,26)(H,23,24)/t19-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401275
PNG
(US10005756, Compound A40)
Show SMILES NCCCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM401275
PNG
(US10005756, Compound A40)
Show SMILES NCCCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50425672
PNG
(CHEMBL2315584)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F4N5O2S/c1-31(34(2,32)33)21-14(4-3-9-27-21)11-28-19-16-10-18(13-5-7-15(23)8-6-13)30-20(16)29-12-17(19)22(24,25)26/h3-10,12H,11H2,1-2H3,(H2,28,29,30)
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n/an/a 37n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis

J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50425681
PNG
(CHEMBL2315564)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C22H16FN5O/c1-25-22(29)16-4-2-3-5-18(16)27-20-14(11-24)12-26-21-17(20)10-19(28-21)13-6-8-15(23)9-7-13/h2-10,12H,1H3,(H,25,29)(H2,26,27,28)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis

J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50234032
PNG
(CHEMBL4060668)
Show SMILES C(Oc1cncc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r|
Show InChI InChI=1S/C19H18N6O/c1-2-6-16-14(4-1)10-20-11-17(16)26-12-15-5-3-9-24(15)18-7-8-21-19-22-13-23-25(18)19/h1-2,4,6-8,10-11,13,15H,3,5,9,12H2/t15-/m1/s1
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531162
PNG
(CHEMBL4445117)
Show SMILES CCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C23H22ClFN4O4/c1-2-26-20(30)19-10-14-9-17(3-4-18(14)28-19)29-6-5-23(33,22(29)32)21(31)27-12-13-7-15(24)11-16(25)8-13/h3-4,7-11,28,33H,2,5-6,12H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531162
PNG
(CHEMBL4445117)
Show SMILES CCNC(=O)c1cc2cc(ccc2[nH]1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C23H22ClFN4O4/c1-2-26-20(30)19-10-14-9-17(3-4-18(14)28-19)29-6-5-23(33,22(29)32)21(31)27-12-13-7-15(24)11-16(25)8-13/h3-4,7-11,28,33H,2,5-6,12H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531148
PNG
(CHEMBL4551283)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C21H18F3N3O4/c22-13-7-12(18(24)15(23)9-13)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531148
PNG
(CHEMBL4551283)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C21H18F3N3O4/c22-13-7-12(18(24)15(23)9-13)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50425687
PNG
(CHEMBL2315565)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis

J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis

J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531154
PNG
(CHEMBL4448427)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C19H19ClFN3O5S/c1-30(28,29)23-15-3-2-4-16(10-15)24-6-5-19(27,18(24)26)17(25)22-11-12-7-13(20)9-14(21)8-12/h2-4,7-10,23,27H,5-6,11H2,1H3,(H,22,25)/t19-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531154
PNG
(CHEMBL4448427)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C19H19ClFN3O5S/c1-30(28,29)23-15-3-2-4-16(10-15)24-6-5-19(27,18(24)26)17(25)22-11-12-7-13(20)9-14(21)8-12/h2-4,7-10,23,27H,5-6,11H2,1H3,(H,22,25)/t19-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531148
PNG
(CHEMBL4551283)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C21H18F3N3O4/c22-13-7-12(18(24)15(23)9-13)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531148
PNG
(CHEMBL4551283)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C21H18F3N3O4/c22-13-7-12(18(24)15(23)9-13)10-25-19(29)21(31)5-6-27(20(21)30)14-2-3-16-11(8-14)1-4-17(28)26-16/h2-3,7-9,31H,1,4-6,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50524871
PNG
(CHEMBL4524329)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)Cc2c1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
Show InChI InChI=1S/C20H17ClFN3O4/c21-13-5-11(6-14(22)9-13)10-23-18(27)20(29)3-4-25(19(20)28)15-1-2-16-12(7-15)8-17(26)24-16/h1-2,5-7,9,29H,3-4,8,10H2,(H,23,27)(H,24,26)/t20-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and manganese as co-facor preincubate...

J Med Chem 62: 5025-5039 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00041
BindingDB Entry DOI: 10.7270/Q2KP85KH
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50524864
PNG
(CHEMBL4566670)
Show SMILES O[C@@]1(CCN(C1=O)c1ccccc1)C(=O)NCCc1cccs1 |r|
Show InChI InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and manganese as co-facor preincubate...

J Med Chem 62: 5025-5039 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00041
BindingDB Entry DOI: 10.7270/Q2KP85KH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50425679
PNG
(CHEMBL2315562)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O/c1-27-21(31)14-4-2-3-5-17(14)29-19-15-10-18(12-6-8-13(23)9-7-12)30-20(15)28-11-16(19)22(24,25)26/h2-11H,1H3,(H,27,31)(H2,28,29,30)
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n/an/a 51n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis

J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531156
PNG
(CHEMBL4522216)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cccc(F)c1F |r|
Show InChI InChI=1S/C21H19F2N3O4/c22-15-3-1-2-13(18(15)23)11-24-19(28)21(30)8-9-26(20(21)29)14-5-6-16-12(10-14)4-7-17(27)25-16/h1-3,5-6,10,30H,4,7-9,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531156
PNG
(CHEMBL4522216)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cccc(F)c1F |r|
Show InChI InChI=1S/C21H19F2N3O4/c22-15-3-1-2-13(18(15)23)11-24-19(28)21(30)8-9-26(20(21)29)14-5-6-16-12(10-14)4-7-17(27)25-16/h1-3,5-6,10,30H,4,7-9,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50531144
PNG
(CHEMBL4460950)
Show SMILES O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C21H19F2N3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
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Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated fo...

J Med Chem 62: 11119-11134 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01070
BindingDB Entry DOI: 10.7270/Q26H4MXQ
More data for this
Ligand-Target Pair
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