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14 molecules are shown

Wt: 293.3
BDBM50265025
Wt: 293.3
BDBM50265026
Wt: 279.2
BDBM50265027
Wt: 289.3
BDBM50264906
Wt: 321.3
BDBM50264942
Wt: 339.3
BDBM50264943
Wt: 326.3
BDBM50264944
Wt: 335.4
BDBM50264945
Wt: 311.3
BDBM50264946
Wt: 325.4
BDBM50264947
Wt: 307.3
BDBM50265060
Wt: 333.3
BDBM50265063
Wt: 317.3
BDBM50265064
Wt: 354.4
BDBM50264982

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50265025,50265026,50265027,50264906,50264942,50264943,50264944,50264945,50264946,50264947,50265060,50265063,50265064,50264982   
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
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264906
PNG
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)
Show SMILES N#Cc1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21)
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n/an/a 580n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264942
PNG
((S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidaz...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264943
PNG
((S)-4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imidaz...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1
Show InChI InChI=1S/C18H21N5O2/c1-11(2)14(10-24)21-16-7-8-17-20-9-15(23(17)22-16)12-3-5-13(6-4-12)18(19)25/h3-9,11,14,24H,10H2,1-2H3,(H2,19,25)(H,21,22)/t14-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264944
PNG
((S)-2-(3-(4-(hydroxymethyl)phenyl)imidazo[1,2-b]py...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CO)cc3)n2n1
Show InChI InChI=1S/C18H22N4O2/c1-12(2)15(11-24)20-17-7-8-18-19-9-16(22(18)21-17)14-5-3-13(10-23)4-6-14/h3-9,12,15,23-24H,10-11H2,1-2H3,(H,20,21)/t15-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264945
PNG
((S)-2-(4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imi...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CC#N)cc3)n2n1
Show InChI InChI=1S/C19H21N5O/c1-13(2)16(12-25)22-18-7-8-19-21-11-17(24(19)23-18)15-5-3-14(4-6-15)9-10-20/h3-8,11,13,16,25H,9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264946
PNG
((S)-2-(3-(4-aminophenyl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N)cc3)n2n1
Show InChI InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-7-8-17-19-9-15(22(17)21-16)12-3-5-13(18)6-4-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265064
PNG
(4-(6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl...)
Show SMILES N#Cc1ccc(cc1)-c1cnc2ccc(NC3CCCCC3)nn12
Show InChI InChI=1S/C19H19N5/c20-12-14-6-8-15(9-7-14)17-13-21-19-11-10-18(23-24(17)19)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2,(H,22,23)
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n/an/a 340n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264982
PNG
((S)-2-(4-(6-(1-hydroxy-3-methylbutan-2-ylamino)imi...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CC(O)=O)cc3)n2n1
Show InChI InChI=1S/C19H22N4O3/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(4-6-14)9-19(25)26/h3-8,10,12,15,24H,9,11H2,1-2H3,(H,21,22)(H,25,26)/t15-/m1/s1
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n/an/a 1.11E+5n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265025
PNG
((S)-4-(6-(1-hydroxypropan-2-ylamino)imidazo[1,2-b]...)
Show SMILES C[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C16H15N5O/c1-11(10-22)19-15-6-7-16-18-9-14(21(16)20-15)13-4-2-12(8-17)3-5-13/h2-7,9,11,22H,10H2,1H3,(H,19,20)/t11-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265026
PNG
((R)-4-(6-(1-hydroxypropan-2-ylamino)imidazo[1,2-b]...)
Show SMILES C[C@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C16H15N5O/c1-11(10-22)19-15-6-7-16-18-9-14(21(16)20-15)13-4-2-12(8-17)3-5-13/h2-7,9,11,22H,10H2,1H3,(H,19,20)/t11-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265027
PNG
(4-(6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-...)
Show SMILES OCCNc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C15H13N5O/c16-9-11-1-3-12(4-2-11)13-10-18-15-6-5-14(17-7-8-21)19-20(13)15/h1-6,10,21H,7-8H2,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265060
PNG
((S)-4-(6-(1-methoxypropan-2-ylamino)imidazo[1,2-b]...)
Show SMILES COC[C@H](C)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C17H17N5O/c1-12(11-23-2)20-16-7-8-17-19-10-15(22(17)21-16)14-5-3-13(9-18)4-6-14/h3-8,10,12H,11H2,1-2H3,(H,20,21)/t12-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50265063
PNG
(4-(6-((+/-)-2-hydroxycyclohexylamino)imidazo[1,2-b...)
Show SMILES O[C@H]1CCCC[C@@H]1Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C19H19N5O/c20-11-13-5-7-14(8-6-13)16-12-21-19-10-9-18(23-24(16)19)22-15-3-1-2-4-17(15)25/h5-10,12,15,17,25H,1-4H2,(H,22,23)/t15-,17-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Putative uncharacterized protein pk7


(Plasmodium falciparum)
BDBM50264947
PNG
((S)-2-(3-(4-(aminomethyl)phenyl)imidazo[1,2-b]pyri...)
Show SMILES CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CN)cc3)n2n1
Show InChI InChI=1S/C18H23N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,9,11,19H2,1-2H3,(H,21,22)/t15-/m1/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PK7


Bioorg Med Chem Lett 18: 5294-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.043
BindingDB Entry DOI: 10.7270/Q21J99K6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)