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Compile Data Set for Download or QSAR

Found 397 hits with Last Name = 'perkins' and Initial = 'l'   
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
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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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))
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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))
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))
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
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))
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))
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))
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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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
RAF serine/threonine protein kinase


(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))
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
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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
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))
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))
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
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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070150
PNG
(CHEMBL13079 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H28N2O5S/c27-22-10-12-24(13-11-22)31-17-23(28)16-25-15-14-19-6-8-21(9-7-19)26-32(29,30)18-20-4-2-1-3-5-20/h1-13,23,25-28H,14-18H2/t23-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
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
RAF serine/threonine protein kinase


(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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
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
RAF serine/threonine protein kinase


(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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215767
PNG
(2-((2-carbamothioylpyridin-4-yl)methylamino)-N-(2,...)
Show SMILES NC(=S)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1
Show InChI InChI=1S/C21H16F2N4O3S/c22-21(23)29-17-6-5-13(10-18(17)30-21)27-20(28)14-3-1-2-4-15(14)26-11-12-7-8-25-16(9-12)19(24)31/h1-10,26H,11H2,(H2,24,31)(H,27,28)
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n/an/a 27n/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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50071296
PNG
(CHEMBL64201 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1
Show InChI InChI=1S/C22H25IN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(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 34n/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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