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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50047434   
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
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167275
PNG
(CHEMBL3798249)
Show SMILES Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21
Show InChI InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167274
PNG
(CHEMBL3797399)
Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)
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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167279
PNG
(CHEMBL3799090)
Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)|
Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
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n/an/a 6.30n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167278
PNG
(CHEMBL3800236)
Show SMILES Nc1ncc(cc1Cl)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20)
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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167285
PNG
(CHEMBL3797780)
Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.81,-3.87,;-1.69,-4.39,;-1.56,-5.95,;-.15,-6.58,;.31,-8.04,;-.43,-9.03,;1.85,-8.06,;2.33,-6.62,;1.11,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167277
PNG
(CHEMBL3797386)
Show SMILES Fc1ccc2n(-c3cccnc3)c3cn[nH]c3c2c1
Show InChI InChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18)
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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
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n/an/a 50n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167320
PNG
(CHEMBL3797508)
Show SMILES FC(F)(F)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13)
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n/an/a 50n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167275
PNG
(CHEMBL3798249)
Show SMILES Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21
Show InChI InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
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n/an/a 63n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167318
PNG
(CHEMBL3797789)
Show SMILES Fc1ccc2[nH]c3cn[nH]c3c2c1
Show InChI InChI=1S/C9H6FN3/c10-5-1-2-7-6(3-5)9-8(12-7)4-11-13-9/h1-4,12H,(H,11,13)
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n/an/a 79n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167277
PNG
(CHEMBL3797386)
Show SMILES Fc1ccc2n(-c3cccnc3)c3cn[nH]c3c2c1
Show InChI InChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18)
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n/an/a 126n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167278
PNG
(CHEMBL3800236)
Show SMILES Nc1ncc(cc1Cl)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20)
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n/an/a 158n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167319
PNG
(CHEMBL3797549)
Show SMILES c1n[nH]c2c1[nH]c1ccccc21
Show InChI InChI=1S/C9H7N3/c1-2-4-7-6(3-1)9-8(11-7)5-10-12-9/h1-5,11H,(H,10,12)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167274
PNG
(CHEMBL3797399)
Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167279
PNG
(CHEMBL3799090)
Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)|
Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.81,-3.87,;-1.69,-4.39,;-1.56,-5.95,;-.15,-6.58,;.31,-8.04,;-.43,-9.03,;1.85,-8.06,;2.33,-6.62,;1.11,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167285
PNG
(CHEMBL3797780)
Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)
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n/an/a<5.01E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167280
PNG
(CHEMBL3797259)
Show SMILES OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C18H15FN4O2/c19-12-3-6-15-14(9-12)17-16(10-21-22-17)23(15)13-4-1-11(2-5-13)18(25)20-7-8-24/h1-6,9-10,24H,7-8H2,(H,20,25)(H,21,22)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167281
PNG
(CHEMBL3799796)
Show SMILES Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.81,-3.87,;-1.69,-4.39,;-1.56,-5.95,;-.15,-6.58,;.31,-8.04,;-.43,-9.03,;1.85,-8.06,;2.33,-6.62,;1.11,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C17H13FN6/c1-9-14(6-12-17(21-9)23(2)8-19-12)24-13-4-3-10(18)5-11(13)16-15(24)7-20-22-16/h3-8H,1-2H3,(H,20,22)
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n/an/an/an/a 25n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167278
PNG
(CHEMBL3800236)
Show SMILES Nc1ncc(cc1Cl)-n1c2cn[nH]c2c2cc(F)ccc12
Show InChI InChI=1S/C14H9ClFN5/c15-10-4-8(5-18-14(10)17)21-11-2-1-7(16)3-9(11)13-12(21)6-19-20-13/h1-6H,(H2,17,18)(H,19,20)
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n/an/an/an/a 32n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167277
PNG
(CHEMBL3797386)
Show SMILES Fc1ccc2n(-c3cccnc3)c3cn[nH]c3c2c1
Show InChI InChI=1S/C14H9FN4/c15-9-3-4-12-11(6-9)14-13(8-17-18-14)19(12)10-2-1-5-16-7-10/h1-8H,(H,17,18)
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n/an/an/an/a 100n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167276
PNG
(CHEMBL3798844)
Show SMILES Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F
Show InChI InChI=1S/C14H8F2N4/c15-10-4-9-12(5-11(10)16)20(8-2-1-3-17-6-8)13-7-18-19-14(9)13/h1-7H,(H,18,19)
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n/an/an/an/a 1.26E+3n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167275
PNG
(CHEMBL3798249)
Show SMILES Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21
Show InChI InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167274
PNG
(CHEMBL3797399)
Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)
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n/an/an/an/a 13n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167285
PNG
(CHEMBL3797780)
Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|
Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)
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n/an/an/an/a 251n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167279
PNG
(CHEMBL3799090)
Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)|
Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
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n/an/an/an/a 20n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis


Bioorg Med Chem Lett 26: 2779-2783 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.072
BindingDB Entry DOI: 10.7270/Q29P33K9
More data for this
Ligand-Target Pair