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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50047441   
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))
BDBM50167916
PNG
(CHEMBL3798615)
Show SMILES FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167915
PNG
(CHEMBL3798727)
Show SMILES FC(F)(F)c1cc(-c2ccc3nccn3c2)c2cn[nH]c2c1
Show InChI InChI=1S/C15H9F3N4/c16-15(17,18)10-5-11(12-7-20-21-13(12)6-10)9-1-2-14-19-3-4-22(14)8-9/h1-8H,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167926
PNG
(CHEMBL3798871)
Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167922
PNG
(CHEMBL3797286)
Show SMILES COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c1-22-13-4-3-9(14(20-13)23-2)10-5-8(15(16,17)18)6-12-11(10)7-19-21-12/h3-7H,1-2H3,(H,19,21)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167960
PNG
(CHEMBL3799512)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/s2
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167959
PNG
(CHEMBL3799242)
Show SMILES Cc1nc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/s2
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167929
PNG
(CHEMBL3798702)
Show SMILES Cc1nc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/s2
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167961
PNG
(CHEMBL3800596)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/s2
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167917
PNG
(CHEMBL3797663)
Show SMILES FC(F)(F)c1cc(-c2cncnc2)c2cn[nH]c2c1
Show InChI InChI=1S/C12H7F3N4/c13-12(14,15)8-1-9(7-3-16-6-17-4-7)10-5-18-19-11(10)2-8/h1-6H,(H,18,19)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167919
PNG
(CHEMBL3799449)
Show SMILES COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c1-21-13-7-18-3-2-9(13)10-4-8(14(15,16)17)5-12-11(10)6-19-20-12/h2-7H,1H3,(H,19,20)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167920
PNG
(CHEMBL3800546)
Show SMILES Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H7F4N3/c14-11-6-18-2-1-8(11)9-3-7(13(15,16)17)4-12-10(9)5-19-20-12/h1-6H,(H,19,20)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167921
PNG
(CHEMBL3800534)
Show SMILES COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-22-12-10(5-18-13(20-12)23-2)8-3-7(14(15,16)17)4-11-9(8)6-19-21-11/h3-6H,1-2H3,(H,19,21)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167918
PNG
(CHEMBL3799467)
Show SMILES Cn1nccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C12H9F3N4/c1-19-11(2-3-17-19)8-4-7(12(13,14)15)5-10-9(8)6-16-18-10/h2-6H,1H3,(H,16,18)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167923
PNG
(CHEMBL3797707)
Show SMILES COc1nc(N)ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H10F3N5O/c1-22-11-9(4-18-12(17)20-11)7-2-6(13(14,15)16)3-10-8(7)5-19-21-10/h2-5H,1H3,(H,19,21)(H2,17,18,20)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167914
PNG
(CHEMBL3798034)
Show SMILES Cc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167927
PNG
(CHEMBL3800090)
Show SMILES Cc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O2/c1-10-6-11(17(26)22-4-5-25)2-3-13(10)14-7-12(18(19,20)21)8-16-15(14)9-23-24-16/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167925
PNG
(CHEMBL3798047)
Show SMILES COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O3/c1-27-16-6-10(17(26)22-4-5-25)2-3-12(16)13-7-11(18(19,20)21)8-15-14(13)9-23-24-15/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167924
PNG
(CHEMBL3798381)
Show SMILES CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2/c1-21-16(24)9-3-4-11(15(5-9)25-2)12-6-10(17(18,19)20)7-14-13(12)8-22-23-14/h3-8H,1-2H3,(H,21,24)(H,22,23)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167909
PNG
(CHEMBL3798509)
Show SMILES FC(F)(F)c1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167928
PNG
(CHEMBL3797699)
Show SMILES Cc1cc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C17H15F3N4O2/c1-9-4-15(16(26)21-2-3-25)22-7-12(9)11-5-10(17(18,19)20)6-14-13(11)8-23-24-14/h4-8,25H,2-3H2,1H3,(H,21,26)(H,23,24)
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Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167922
PNG
(CHEMBL3797286)
Show SMILES COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C15H12F3N3O2/c1-22-13-4-3-9(14(20-13)23-2)10-5-8(15(16,17)18)6-12-11(10)7-19-21-12/h3-7H,1-2H3,(H,19,21)
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167910
PNG
(CHEMBL3798100)
Show SMILES N#Cc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H9N3/c15-8-10-6-12(11-4-2-1-3-5-11)13-9-16-17-14(13)7-10/h1-7,9H,(H,16,17)
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n/an/a 62n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167904
PNG
(CHEMBL3799496)
Show SMILES Clc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C13H9ClN2/c14-10-6-11(9-4-2-1-3-5-9)12-8-15-16-13(12)7-10/h1-8H,(H,15,16)
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n/an/a 79n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167913
PNG
(CHEMBL3798443)
Show SMILES FC(F)(F)Oc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H9F3N2O/c15-14(16,17)20-10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19)
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n/an/a 91n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167923
PNG
(CHEMBL3797707)
Show SMILES COc1nc(N)ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H10F3N5O/c1-22-11-9(4-18-12(17)20-11)7-2-6(13(14,15)16)3-10-8(7)5-19-21-10/h2-5H,1H3,(H,19,21)(H2,17,18,20)
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n/an/a 100n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167920
PNG
(CHEMBL3800546)
Show SMILES Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C13H7F4N3/c14-11-6-18-2-1-8(11)9-3-7(13(15,16)17)4-12-10(9)5-19-20-12/h1-6H,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167907
PNG
(CHEMBL3798111)
Show SMILES Cc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H12N2/c1-10-7-12(11-5-3-2-4-6-11)13-9-15-16-14(13)8-10/h2-9H,1H3,(H,15,16)
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n/an/a 220n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167916
PNG
(CHEMBL3798615)
Show SMILES FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21)
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n/an/a 316n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167915
PNG
(CHEMBL3798727)
Show SMILES FC(F)(F)c1cc(-c2ccc3nccn3c2)c2cn[nH]c2c1
Show InChI InChI=1S/C15H9F3N4/c16-15(17,18)10-5-11(12-7-20-21-13(12)6-10)9-1-2-14-19-3-4-22(14)8-9/h1-8H,(H,20,21)
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n/an/a 316n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167912
PNG
(CHEMBL3799532)
Show SMILES CS(=O)(=O)c1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H12N2O2S/c1-19(17,18)11-7-12(10-5-3-2-4-6-10)13-9-15-16-14(13)8-11/h2-9H,1H3,(H,15,16)
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n/an/a 360n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167917
PNG
(CHEMBL3797663)
Show SMILES FC(F)(F)c1cc(-c2cncnc2)c2cn[nH]c2c1
Show InChI InChI=1S/C12H7F3N4/c13-12(14,15)8-1-9(7-3-16-6-17-4-7)10-5-18-19-11(10)2-8/h1-6H,(H,18,19)
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n/an/a 398n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167918
PNG
(CHEMBL3799467)
Show SMILES Cn1nccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C12H9F3N4/c1-19-11(2-3-17-19)8-4-7(12(13,14)15)5-10-9(8)6-16-18-10/h2-6H,1H3,(H,16,18)
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n/an/a 501n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167919
PNG
(CHEMBL3799449)
Show SMILES COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c1-21-13-7-18-3-2-9(13)10-4-8(14(15,16)17)5-12-11(10)6-19-20-12/h2-7H,1H3,(H,19,20)
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n/an/a 501n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167911
PNG
(CHEMBL3799684)
Show SMILES CC(C)c1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C16H16N2/c1-11(2)13-8-14(12-6-4-3-5-7-12)15-10-17-18-16(15)9-13/h3-11H,1-2H3,(H,17,18)
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n/an/a 550n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167908
PNG
(CHEMBL3799625)
Show SMILES COc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C14H12N2O/c1-17-11-7-12(10-5-3-2-4-6-10)13-9-15-16-14(13)8-11/h2-9H,1H3,(H,15,16)
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n/an/a 730n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167906
PNG
(CHEMBL3798664)
Show SMILES Fc1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C13H9FN2/c14-10-6-11(9-4-2-1-3-5-9)12-8-15-16-13(12)7-10/h1-8H,(H,15,16)
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n/an/a 960n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50209237
PNG
(6-bromo-1H-indazole | CHEMBL247365)
Show SMILES Brc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167914
PNG
(CHEMBL3798034)
Show SMILES Cc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167901
PNG
(CHEMBL3798369)
Show SMILES Oc1n[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167905
PNG
(CHEMBL3799845)
Show SMILES c1n[nH]c2cccc(-c3ccccc3)c12
Show InChI InChI=1S/C13H10N2/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-14-15-13/h1-9H,(H,14,15)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167921
PNG
(CHEMBL3800534)
Show SMILES COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-22-12-10(5-18-13(20-12)23-2)8-3-7(14(15,16)17)4-11-9(8)6-19-21-11/h3-6H,1-2H3,(H,19,21)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167924
PNG
(CHEMBL3798381)
Show SMILES CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2/c1-21-16(24)9-3-4-11(15(5-9)25-2)12-6-10(17(18,19)20)7-14-13(12)8-22-23-14/h3-8H,1-2H3,(H,21,24)(H,22,23)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167903
PNG
(CHEMBL3799020)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccccc2)c2cn[nH]c2c1
Show InChI InChI=1S/C17H14N4/c1-21-11-14(9-19-21)13-7-15(12-5-3-2-4-6-12)16-10-18-20-17(16)8-13/h2-11H,1H3,(H,18,20)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50099398
PNG
(5-Bromo-1H-indazole | CHEMBL16425 | cid_761929)
Show SMILES Brc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167928
PNG
(CHEMBL3797699)
Show SMILES Cc1cc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C17H15F3N4O2/c1-9-4-15(16(26)21-2-3-25)22-7-12(9)11-5-10(17(18,19)20)6-14-13(11)8-23-24-14/h4-8,25H,2-3H2,1H3,(H,21,26)(H,23,24)
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167961
PNG
(CHEMBL3800596)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/s2
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167960
PNG
(CHEMBL3799512)
Show SMILES Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/s2
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167959
PNG
(CHEMBL3799242)
Show SMILES Cc1nc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/s2
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167927
PNG
(CHEMBL3800090)
Show SMILES Cc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO
Show InChI InChI=1S/C18H16F3N3O2/c1-10-6-11(17(26)22-4-5-25)2-3-13(10)14-7-12(18(19,20)21)8-16-15(14)9-23-24-16/h2-3,6-9,25H,4-5H2,1H3,(H,22,26)(H,23,24)
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50167926
PNG
(CHEMBL3798871)
Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24)
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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 DH5-alpha


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
More data for this
Ligand-Target Pair
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