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Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'dixon' and Initial = 'j'   
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
Endochitinase B1


(Aspergillus fumigatus)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhihitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with 4-methylumbelliferyl-b-D-N,N0-diacetylchitobiose as substrate


Bioorg Med Chem Lett 15: 4717-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.068
BindingDB Entry DOI: 10.7270/Q2MS3S9T
More data for this
Ligand-Target Pair
Nuclear proteasome inhibitor UBLCP1


(Homo sapiens (Human))
BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
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1.00E+3n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Competitive inhibition of His6-tagged UBLCP1 (unknown origin) expressed in Escherichia coli BL21 cells by Lineweaver-Burk plot analysis in presence o...


Bioorg Med Chem 23: 2798-809 (2015)


Article DOI: 10.1016/j.bmc.2015.03.066
BindingDB Entry DOI: 10.7270/Q2VD7168
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50423388
PNG
(CHEMBL251024)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H31N7O8S/c1-3-5-8-23-18-15-19(26-22(25-18)38-9-4-2)29(28-27-15)20-17(34)16(33)12(37-20)6-7-13(30)24-11(21(35)36)10-14(31)32/h6-7,11-12,16-17,20,33-34H,3-5,8-10H2,1-2H3,(H,24,30)(H,31,32)(H,35,36)(H,23,25,26)/b7-6+/t11-,12+,16+,17+,20+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50423387
PNG
(CHEMBL437204)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1C[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H33N7O7S/c1-3-5-8-24-20-17-21(27-23(26-20)38-9-4-2)30(29-28-17)14-10-12(18(34)19(14)35)6-7-15(31)25-13(22(36)37)11-16(32)33/h6-7,12-14,18-19,34-35H,3-5,8-11H2,1-2H3,(H,25,31)(H,32,33)(H,36,37)(H,24,26,27)/b7-6+/t12-,13-,14+,18+,19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215758
PNG
(2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluo...)
Show SMILES Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H16F2N4O3/c21-20(22)28-16-6-5-13(10-17(16)29-20)26-19(27)14-3-1-2-4-15(14)25-11-12-7-8-24-18(23)9-12/h1-10,25H,11H2,(H2,23,24)(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215791
PNG
(2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-di...)
Show SMILES CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H18F2N4O4/c1-13(29)27-20-10-14(8-9-25-20)12-26-17-5-3-2-4-16(17)21(30)28-15-6-7-18-19(11-15)32-22(23,24)31-18/h2-11,26H,12H2,1H3,(H,28,30)(H,25,27,29)
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215766
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C21H16F2N4O4/c22-21(23)30-17-6-5-13(10-18(17)31-21)27-20(29)14-3-1-2-4-15(14)26-11-12-7-8-25-16(9-12)19(24)28/h1-10,26H,11H2,(H2,24,28)(H,27,29)
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n/an/a 2n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215788
PNG
(CHEMBL399534 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C21H18F2N4O3/c1-24-19-10-13(8-9-25-19)12-26-16-5-3-2-4-15(16)20(28)27-14-6-7-17-18(11-14)30-21(22,23)29-17/h2-11,26H,12H2,1H3,(H,24,25)(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215793
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H16F2N4O4S/c1-23-18(27)14-8-11(4-6-24-14)10-25-13-5-7-31-17(13)19(28)26-12-2-3-15-16(9-12)30-20(21,22)29-15/h2-9,25H,10H2,1H3,(H,23,27)(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215774
PNG
(CHEMBL246424 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)n1
Show InChI InChI=1S/C20H17F2N5O3/c1-23-19-24-9-8-13(27-19)11-25-15-5-3-2-4-14(15)18(28)26-12-6-7-16-17(10-12)30-20(21,22)29-16/h2-10,25H,11H2,1H3,(H,26,28)(H,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215758
PNG
(2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluo...)
Show SMILES Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H16F2N4O3/c21-20(22)28-16-6-5-13(10-17(16)29-20)26-19(27)14-3-1-2-4-15(14)25-11-12-7-8-24-18(23)9-12/h1-10,25H,11H2,(H2,23,24)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215759
PNG
(CHEMBL247423 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCOCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C24H24F2N4O5/c25-24(26)34-20-6-5-17(14-21(20)35-24)30-23(32)18-3-1-2-4-19(18)29-15-16-7-8-27-22(13-16)28-9-11-33-12-10-31/h1-8,13-14,29,31H,9-12,15H2,(H,27,28)(H,30,32)
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50339998
PNG
((R)-2-(3-amino-1-phenylpropylthio)-4-chlorobenzoni...)
Show SMILES NCC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1 |r|
Show InChI InChI=1S/C16H15ClN2S/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50340003
PNG
((R)-2-(3-amino-1-phenylpropylthio)-6-methylnicotin...)
Show SMILES Cc1ccc(C#N)c(S[C@H](CCN)c2ccccc2)n1 |r|
Show InChI InChI=1S/C16H17N3S/c1-12-7-8-14(11-18)16(19-12)20-15(9-10-17)13-5-3-2-4-6-13/h2-8,15H,9-10,17H2,1H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50339997
PNG
((R)-2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitri...)
Show SMILES NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r|
Show InChI InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215770
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C20H18F2N6O4S/c1-2-23-19(30)28-15-6-3-11(8-24-15)9-25-17-16(33-10-26-17)18(29)27-12-4-5-13-14(7-12)32-20(21,22)31-13/h3-8,10,25H,2,9H2,1H3,(H,27,29)(H2,23,24,28,30)
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n/an/a 4n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215773
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H18F2N4O4/c1-25-21(30)17-10-13(8-9-26-17)12-27-16-5-3-2-4-15(16)20(29)28-14-6-7-18-19(11-14)32-22(23,24)31-18/h2-11,27H,12H2,1H3,(H,25,30)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215791
PNG
(2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-di...)
Show SMILES CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H18F2N4O4/c1-13(29)27-20-10-14(8-9-25-20)12-26-17-5-3-2-4-16(17)21(30)28-15-6-7-18-19(11-15)32-22(23,24)31-18/h2-11,26H,12H2,1H3,(H,28,30)(H,25,27,29)
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of b-Raf


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215775
PNG
(1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H19F2N5O4/c1-25-21(31)29-19-10-13(8-9-26-19)12-27-16-5-3-2-4-15(16)20(30)28-14-6-7-17-18(11-14)33-22(23,24)32-17/h2-11,27H,12H2,1H3,(H,28,30)(H2,25,26,29,31)
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n/an/a 5n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50340004
PNG
((R)-2-(3-amino-1-(isoxazol-5-yl)propoxy)-6-(triflu...)
Show SMILES NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1 |r|
Show InChI InChI=1S/C13H11F3N4O2/c14-13(15,16)11-2-1-8(7-18)12(20-11)21-9(3-5-17)10-4-6-19-22-10/h1-2,4,6,9H,3,5,17H2/t9-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50340002
PNG
(2-[[(1R)-3-Amino-1-phenylpropyl]oxy]-4-chloro-5-fl...)
Show SMILES NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1 |r|
Show InChI InChI=1S/C16H14ClFN2O/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,19H2/t15-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50215770
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C20H18F2N6O4S/c1-2-23-19(30)28-15-6-3-11(8-24-15)9-25-17-16(33-10-26-17)18(29)27-12-4-5-13-14(7-12)32-20(21,22)31-13/h3-8,10,25H,2,9H2,1H3,(H,27,29)(H2,23,24,28,30)
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215789
PNG
(1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CCNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H21F2N5O4/c1-2-26-22(32)30-20-11-14(9-10-27-20)13-28-17-6-4-3-5-16(17)21(31)29-15-7-8-18-19(12-15)34-23(24,25)33-18/h3-12,28H,2,13H2,1H3,(H,29,31)(H2,26,27,30,32)
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n/an/a 7n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215782
PNG
(CHEMBL398052 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H20F2N4O4/c23-22(24)31-18-6-5-15(12-19(18)32-22)28-21(30)16-3-1-2-4-17(16)27-13-14-7-8-25-20(11-14)26-9-10-29/h1-8,11-12,27,29H,9-10,13H2,(H,25,26)(H,28,30)
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n/an/a 8n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215798
PNG
(CHEMBL395700 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H22F2N4O4/c24-23(25)32-19-7-6-16(13-20(19)33-23)29-22(31)17-4-1-2-5-18(17)28-14-15-8-10-27-21(12-15)26-9-3-11-30/h1-2,4-8,10,12-13,28,30H,3,9,11,14H2,(H,26,27)(H,29,31)
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n/an/a 9n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50339996
PNG
((R)-4-chloro-2-(3-(methylamino)-1-phenylpropoxy)be...)
Show SMILES CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r|
Show InChI InChI=1S/C17H17ClN2O/c1-20-10-9-16(13-5-3-2-4-6-13)21-17-11-15(18)8-7-14(17)12-19/h2-8,11,16,20H,9-10H2,1H3/t16-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215777
PNG
(4-((4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H18F2N6O4/c1-23-19(30)14-7-11(5-6-24-14)9-25-17-13(10-26-28(17)2)18(29)27-12-3-4-15-16(8-12)32-20(21,22)31-15/h3-8,10,25H,9H2,1-2H3,(H,23,30)(H,27,29)
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n/an/a 11n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215787
PNG
(4-((5-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,...)
Show SMILES CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C20H15F4N5O4S/c1-25-17(30)12-6-10(4-5-26-12)8-27-16-15(34-9-28-16)18(31)29-11-2-3-13-14(7-11)33-20(23,24)19(21,22)32-13/h2-7,9,27H,8H2,1H3,(H,25,30)(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215776
PNG
(CHEMBL247591 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C24H24F2N4O4/c1-32-12-4-10-27-22-13-16(9-11-28-22)15-29-19-6-3-2-5-18(19)23(31)30-17-7-8-20-21(14-17)34-24(25,26)33-20/h2-3,5-9,11,13-14,29H,4,10,12,15H2,1H3,(H,27,28)(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/s2
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n/an/a 12.7n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215772
PNG
(CHEMBL248860 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES COCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H22F2N4O4/c1-31-11-10-27-21-12-15(8-9-26-21)14-28-18-5-3-2-4-17(18)22(30)29-16-6-7-19-20(13-16)33-23(24,25)32-19/h2-9,12-13,28H,10-11,14H2,1H3,(H,26,27)(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50215763
PNG
(1-methyl-3-(5-((1-methyl-4-((4-(trifluoromethylthi...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1
Show InChI InChI=1S/C20H20F3N7O2S/c1-24-19(32)29-16-8-3-12(9-25-16)10-26-17-15(11-27-30(17)2)18(31)28-13-4-6-14(7-5-13)33-20(21,22)23/h3-9,11,26H,10H2,1-2H3,(H,28,31)(H2,24,25,29,32)
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n/an/a 15n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of pAkt


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215771
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES FC1(F)Oc2ccc(NC(=O)c3ccccc3NCc3ccnc(c3)C(=O)NC3CC3)cc2O1
Show InChI InChI=1S/C24H20F2N4O4/c25-24(26)33-20-8-7-16(12-21(20)34-24)30-22(31)17-3-1-2-4-18(17)28-13-14-9-10-27-19(11-14)23(32)29-15-5-6-15/h1-4,7-12,15,28H,5-6,13H2,(H,29,32)(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215795
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CS(=O)(=O)CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C24H22F2N4O6S/c1-37(33,34)11-10-28-23(32)19-12-15(8-9-27-19)14-29-18-5-3-2-4-17(18)22(31)30-16-6-7-20-21(13-16)36-24(25,26)35-20/h2-9,12-13,29H,10-11,14H2,1H3,(H,28,32)(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215763
PNG
(1-methyl-3-(5-((1-methyl-4-((4-(trifluoromethylthi...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1
Show InChI InChI=1S/C20H20F3N7O2S/c1-24-19(32)29-16-8-3-12(9-25-16)10-26-17-15(11-27-30(17)2)18(31)28-13-4-6-14(7-5-13)33-20(21,22)23/h3-9,11,26H,10H2,1-2H3,(H,28,31)(H2,24,25,29,32)
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n/an/a 17n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215784
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES OCCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H20F2N4O5/c24-23(25)33-19-6-5-15(12-20(19)34-23)29-21(31)16-3-1-2-4-17(16)28-13-14-7-8-26-18(11-14)22(32)27-9-10-30/h1-8,11-12,28,30H,9-10,13H2,(H,27,32)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215785
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES COCCCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C25H24F2N4O5/c1-34-12-4-10-29-24(33)20-13-16(9-11-28-20)15-30-19-6-3-2-5-18(19)23(32)31-17-7-8-21-22(14-17)36-25(26,27)35-21/h2-3,5-9,11,13-14,30H,4,10,12,15H2,1H3,(H,29,33)(H,31,32)
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n/an/a 19n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215781
PNG
(2-(pyridin-4-ylmethylamino)-N-(2,2,3,3-tetrafluoro...)
Show SMILES FC1(F)Oc2ccc(NC(=O)c3ccccc3NCc3ccncc3)cc2OC1(F)F
Show InChI InChI=1S/C21H15F4N3O3/c22-20(23)21(24,25)31-18-11-14(5-6-17(18)30-20)28-19(29)15-3-1-2-4-16(15)27-12-13-7-9-26-10-8-13/h1-11,27H,12H2,(H,28,29)
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n/an/a 19n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215790
PNG
(2-((2-(3-(1H-imidazol-1-yl)propylamino)pyridin-4-y...)
Show SMILES FC1(F)Oc2ccc(NC(=O)c3ccccc3NCc3ccnc(NCCCn4ccnc4)c3)cc2O1
Show InChI InChI=1S/C26H24F2N6O3/c27-26(28)36-22-7-6-19(15-23(22)37-26)33-25(35)20-4-1-2-5-21(20)32-16-18-8-10-31-24(14-18)30-9-3-12-34-13-11-29-17-34/h1-2,4-8,10-11,13-15,17,32H,3,9,12,16H2,(H,30,31)(H,33,35)
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n/an/a 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50339995
PNG
((R)-3-(2,5-dichlorophenoxy)-N-methyl-3-phenylpropa...)
Show SMILES CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C16H17Cl2NO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-11-13(17)7-8-14(16)18/h2-8,11,15,19H,9-10H2,1H3/t15-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca Charnwood

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS


Bioorg Med Chem Lett 21: 2468-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.061
BindingDB Entry DOI: 10.7270/Q29G5N4S
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215799
PNG
(2-((2-(2-(1H-imidazol-5-yl)ethylamino)pyridin-4-yl...)
Show SMILES FC1(F)Oc2ccc(NC(=O)c3ccccc3NCc3ccnc(NCCc4cnc[nH]4)c3)cc2O1
Show InChI InChI=1S/C25H22F2N6O3/c26-25(27)35-21-6-5-17(12-22(21)36-25)33-24(34)19-3-1-2-4-20(19)31-13-16-7-9-29-23(11-16)30-10-8-18-14-28-15-32-18/h1-7,9,11-12,14-15,31H,8,10,13H2,(H,28,32)(H,29,30)(H,33,34)
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n/an/a 23n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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n/an/a 24n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of pAkt


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215775
PNG
(1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C22H19F2N5O4/c1-25-21(31)29-19-10-13(8-9-26-19)12-27-16-5-3-2-4-15(16)20(30)28-14-6-7-17-18(11-14)33-22(23,24)32-17/h2-11,27H,12H2,1H3,(H,28,30)(H2,25,26,29,31)
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n/an/a 24n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of b-Raf


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215792
PNG
(4-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C19H15F2N5O4S/c1-22-17(27)12-6-10(4-5-23-12)8-24-16-15(31-9-25-16)18(28)26-11-2-3-13-14(7-11)30-19(20,21)29-13/h2-7,9,24H,8H2,1H3,(H,22,27)(H,26,28)
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n/an/a 25n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215765
PNG
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)
Show SMILES CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C23H20F2N4O4/c1-2-26-22(31)18-11-14(9-10-27-18)13-28-17-6-4-3-5-16(17)21(30)29-15-7-8-19-20(12-15)33-23(24,25)32-19/h3-12,28H,2,13H2,1H3,(H,26,31)(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215794
PNG
(CHEMBL246423 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CS(=O)(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C21H18F2N4O5S/c1-33(29,30)27-19-10-13(8-9-24-19)12-25-16-5-3-2-4-15(16)20(28)26-14-6-7-17-18(11-14)32-21(22,23)31-17/h2-11,25H,12H2,1H3,(H,24,27)(H,26,28)
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n/an/a 25n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215774
PNG
(CHEMBL246424 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)n1
Show InChI InChI=1S/C20H17F2N5O3/c1-23-19-24-9-8-13(27-19)11-25-15-5-3-2-4-14(15)18(28)26-12-6-7-16-17(10-12)30-20(21,22)29-16/h2-10,25H,11H2,1H3,(H,26,28)(H,23,24,27)
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n/an/a 26n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of b-Raf


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
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