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8 similar compounds to monomer 50152595

Compile data set for download or QSAR
Wt: 172.2
BDBM50135069
Wt: 363.4
BDBM50152605
Wt: 443.8
BDBM50152588
Wt: 341.4
BDBM50152594
Wt: 371.4
BDBM50152600
Wt: 377.4
BDBM50152602
Wt: 327.4
BDBM50152603
Wt: 375.8
BDBM50152590

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50135069,50152605,50152588,50152594,50152600,50152602,50152603,50152590   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50152588
PNG
(CHEMBL3780121)
Show SMILES COc1ccc(Cc2nnc(Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1
Show InChI InChI=1S/C23H17ClF3N3O/c1-31-16-9-6-14(7-10-16)12-21-17-4-2-3-5-18(17)22(30-29-21)28-15-8-11-20(24)19(13-15)23(25,26)27/h2-11,13H,12H2,1H3,(H,28,30)
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PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR-2 expressed in Spodoptera frugiperda cells after 5 mins by using biotinylated poly-GluTyr (4:1) as substrate by...


Eur J Med Chem 113: 50-62 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.029
BindingDB Entry DOI: 10.7270/Q2736SSX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50152590
PNG
(CHEMBL3781176)
Show SMILES COc1ccc(Cc2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1
Show InChI InChI=1S/C22H18ClN3O/c1-27-18-11-9-15(10-12-18)13-21-19-7-2-3-8-20(19)22(26-25-21)24-17-6-4-5-16(23)14-17/h2-12,14H,13H2,1H3,(H,24,26)
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n/an/a 4.67E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR-2 expressed in Spodoptera frugiperda cells after 5 mins by using biotinylated poly-GluTyr (4:1) as substrate by...


Eur J Med Chem 113: 50-62 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.029
BindingDB Entry DOI: 10.7270/Q2736SSX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50152594
PNG
(CHEMBL3780536)
Show SMILES COc1ccc(Cc2nnc(Nc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H19N3O/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25-24-21)23-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
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n/an/a 5.76E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR-2 expressed in Spodoptera frugiperda cells after 5 mins by using biotinylated poly-GluTyr (4:1) as substrate by...


Eur J Med Chem 113: 50-62 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.029
BindingDB Entry DOI: 10.7270/Q2736SSX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152600
PNG
(CHEMBL3779939)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CC(CCc2[nH]1)C(O)=O
Show InChI InChI=1S/C19H25N5O3/c20-11-2-4-12(5-3-11)22-14-7-8-21-18(25)16(14)17-23-13-6-1-10(19(26)27)9-15(13)24-17/h7-8,10-12H,1-6,9,20H2,(H,23,24)(H,26,27)(H2,21,22,25)/t10?,11-,12+
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n/an/a 1.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50135069
PNG
(2-Amino-3-hydroxy-1-piperidin-1-yl-propan-1-one | ...)
Show SMILES NC(CO)C(=O)N1CCCCC1
Show InChI InChI=1S/C8H16N2O2/c9-7(6-11)8(12)10-4-2-1-3-5-10/h7,11H,1-6,9H2
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152603
PNG
(CHEMBL3780299)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1
Show InChI InChI=1S/C18H25N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h9-12H,1-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 0.900n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152605
PNG
(CHEMBL3780977)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O
Show InChI InChI=1S/C21H25N5O/c1-13-19(14-5-3-2-4-6-14)26-20(24-13)18-17(11-12-23-21(18)27)25-16-9-7-15(22)8-10-16/h2-6,11-12,15-16H,7-10,22H2,1H3,(H,24,26)(H2,23,25,27)/t15-,16+
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n/an/a 6n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50135069
PNG
(2-Amino-3-hydroxy-1-piperidin-1-yl-propan-1-one | ...)
Show SMILES NC(CO)C(=O)N1CCCCC1
Show InChI InChI=1S/C8H16N2O2/c9-7(6-11)8(12)10-4-2-1-3-5-10/h7,11H,1-6,9H2
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152602
PNG
(CHEMBL3781442)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CC(CCc2[nH]1)C(F)F
Show InChI InChI=1S/C19H25F2N5O/c20-17(21)10-1-6-13-15(9-10)26-18(25-13)16-14(7-8-23-19(16)27)24-12-4-2-11(22)3-5-12/h7-8,10-12,17H,1-6,9,22H2,(H,25,26)(H2,23,24,27)/t10?,11-,12+
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair