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PDB code 2P4I

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14983
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37)
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PubMed
n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14983
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37)
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PubMed
n/an/a 10n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 8 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14948
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c1-15-8-9-16(22(34)32-18-6-3-5-17(14-18)25(26,27)28)13-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
PDB
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Article
PubMed
n/an/a<1n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14948
PNG
(4-Methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyrid...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2/c1-15-8-9-16(22(34)32-18-6-3-5-17(14-18)25(26,27)28)13-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
PDB
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SMPDB pathway
KEGG

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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14995
PNG
(2-(Methylamino)pyrimidine 58 | N-(2-((3-(Dimethyla...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
Show InChI InChI=1S/C30H31F4N7O2/c1-35-29-37-14-12-24(39-29)21-7-5-13-36-28(21)43-20-9-10-23(31)22(18-20)27(42)38-25-17-19(30(32,33)34)8-11-26(25)41(4)16-6-15-40(2)3/h5,7-14,17-18H,6,15-16H2,1-4H3,(H,38,42)(H,35,37,39)
PDB
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Article
PubMed
n/an/a 4n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14992
PNG
(2-(Methylamino)pyrimidine 55 | 4-Methyl-3-(3-(2-(m...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N6O2/c1-19-8-9-20(17-26(19)41-28-22(7-6-13-35-28)23-12-14-36-29(34-2)38-23)27(40)37-24-18-21(30(31,32)33)10-11-25(24)39-15-4-3-5-16-39/h6-14,17-18H,3-5,15-16H2,1-2H3,(H,37,40)(H,34,36,38)
PDB
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SMPDB pathway
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Article
PubMed
n/an/a 39n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14989
PNG
(2-(Methylamino)pyrimidine 52 | 3-({3-[2-(methylami...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O2/c1-33-28-35-14-12-23(37-28)22-9-6-13-34-27(22)40-21-8-5-7-19(17-21)26(39)36-24-18-20(29(30,31)32)10-11-25(24)38-15-3-2-4-16-38/h5-14,17-18H,2-4,15-16H2,1H3,(H,36,39)(H,33,35,37)
PDB
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SMPDB pathway
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Article
PubMed
n/an/a 99n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14977
PNG
(4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(...)
Show SMILES Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O2/c1-15-7-8-16(22(32)31-18-5-2-4-17(13-18)24(25,26)27)12-21(15)33-23-19(6-3-10-29-23)20-9-11-28-14-30-20/h2-14H,1H3,(H,31,32)
PDB
MMDB

SMPDB pathway
KEGG

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GoogleScholar
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PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 153n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14993
PNG
(2-(Methylamino)pyrimidine 56 | 2-methyl-3-({3-[2-(...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1cccc(C(=O)Nc2cc(ccc2N2CCCCC2)C(F)(F)F)c1C
Show InChI InChI=1S/C30H29F3N6O2/c1-19-21(27(40)37-24-18-20(30(31,32)33)11-12-25(24)39-16-4-3-5-17-39)8-6-10-26(19)41-28-22(9-7-14-35-28)23-13-15-36-29(34-2)38-23/h6-15,18H,3-5,16-17H2,1-2H3,(H,37,40)(H,34,36,38)
PDB
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SMPDB pathway
KEGG

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Article
PubMed
n/an/a 388n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tie-2

  (317/317 = 100%)
(Homo sapiens (human))
BDBM14982
PNG
(4-Methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl...)
Show SMILES Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N5O3/c1-18-4-5-19(15-25(18)39-27-21(3-2-9-33-27)22-8-10-32-17-34-22)26(37)35-23-16-20(28(29,30)31)6-7-24(23)36-11-13-38-14-12-36/h2-10,15-17H,11-14H2,1H3,(H,35,37)
PDB
MMDB

SMPDB pathway
KEGG

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B.MOAD
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PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 399n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output