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Compile Data Set for Download or QSAR

Found 1002 hits with Last Name = 'steurer' and Initial = 's'   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM117412
PNG
(US8653087, III-319 | US8653087, III-92)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc34)c2)no1
Show InChI InChI=1S/C26H30FN9O3/c1-26(2,3)20-13-21(35-39-20)33-24(37)16-4-5-17(27)18(12-16)32-23-22-19(30-15-31-23)14-29-25(34-22)28-6-7-36-8-10-38-11-9-36/h4-5,12-15H,6-11H2,1-3H3,(H,28,29,34)(H,30,31,32)(H,33,35,37)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117641
PNG
(US8653087, III-321)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8O2/c1-14-2-3-15(22(36)33-19-11-16(4-5-28-19)24(25,26)27)10-17(14)32-21-20-18(30-13-31-21)12-29-23(34-20)35-6-8-37-9-7-35/h2-5,10-13H,6-9H2,1H3,(H,28,33,36)(H,30,31,32)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117642
PNG
(US8653087, III-322)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cccc(c1)C(C)(C)C#N
Show InChI InChI=1S/C28H28N8O2/c1-18-7-8-19(26(37)33-21-6-4-5-20(14-21)28(2,3)16-29)13-22(18)34-25-24-23(31-17-32-25)15-30-27(35-24)36-9-11-38-12-10-36/h4-8,13-15,17H,9-12H2,1-3H3,(H,33,37)(H,31,32,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117659
PNG
(US8653087, III-339)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCNCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N8O/c1-15-5-6-16(23(37)33-18-4-2-3-17(12-18)25(26,27)28)11-19(15)34-22-21-20(31-14-32-22)13-30-24(35-21)36-9-7-29-8-10-36/h2-6,11-14,29H,7-10H2,1H3,(H,33,37)(H,31,32,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117661
PNG
(US8653087, III-341)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCNCC1)C(=O)Nc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C28H32N8O/c1-18-8-9-19(26(37)33-21-7-5-6-20(15-21)28(2,3)4)14-22(18)34-25-24-23(31-17-32-25)16-30-27(35-24)36-12-10-29-11-13-36/h5-9,14-17,29H,10-13H2,1-4H3,(H,33,37)(H,31,32,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117665
PNG
(US8653087, III-345)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CC[C@H](F)C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N8O/c1-13-2-3-14(22(37)34-19-9-15(4-6-29-19)24(26,27)28)8-17(13)33-21-20-18(31-12-32-21)10-30-23(35-20)36-7-5-16(25)11-36/h2-4,6,8-10,12,16H,5,7,11H2,1H3,(H,29,34,37)(H,31,32,33)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117667
PNG
(US8653087, III-347)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(NC4CCOC4)nc23)c1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O3/c1-14-3-4-15(24(37)35-19-10-16(26(27,28)29)5-6-21(19)38-2)9-18(14)34-23-22-20(31-13-32-23)11-30-25(36-22)33-17-7-8-39-12-17/h3-6,9-11,13,17H,7-8,12H2,1-2H3,(H,35,37)(H,30,33,36)(H,31,32,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117668
PNG
(US8653087, III-348)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(nn1C)C(C)(C)C
Show InChI InChI=1S/C26H31N9O2/c1-15-6-7-16(24(36)32-21-11-20(26(2,3)4)34-35(21)5)10-18(15)31-23-22-19(28-14-29-23)12-27-25(33-22)30-17-8-9-37-13-17/h6-7,10-12,14,17H,8-9,13H2,1-5H3,(H,32,36)(H,27,30,33)(H,28,29,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117669
PNG
(US8653087, III-349)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-14-5-6-15(23(36)32-17-4-2-3-16(10-17)25(26,27)28)9-19(14)34-22-21-20(30-13-31-22)11-29-24(35-21)33-18-7-8-37-12-18/h2-6,9-11,13,18H,7-8,12H2,1H3,(H,32,36)(H,29,33,35)(H,30,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117670
PNG
(US8653087, III-350)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C28H31N7O2/c1-17-8-9-18(26(36)32-20-7-5-6-19(13-20)28(2,3)4)12-22(17)34-25-24-23(30-16-31-25)14-29-27(35-24)33-21-10-11-37-15-21/h5-9,12-14,16,21H,10-11,15H2,1-4H3,(H,32,36)(H,29,33,35)(H,30,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117671
PNG
(US8653087, III-351)
Show SMILES CCN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H34F3N9O2/c1-3-42-7-9-43(10-8-42)24-14-21(31(32,33)34)13-23(15-24)38-29(44)20-5-4-19(2)25(12-20)40-28-27-26(36-18-37-28)16-35-30(41-27)39-22-6-11-45-17-22/h4-5,12-16,18,22H,3,6-11,17H2,1-2H3,(H,38,44)(H,35,39,41)(H,36,37,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117673
PNG
(US8653087, III-353)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(n[nH]1)C(C)(C)C
Show InChI InChI=1S/C25H29N9O2/c1-14-5-6-15(23(35)31-20-10-19(33-34-20)25(2,3)4)9-17(14)30-22-21-18(27-13-28-22)11-26-24(32-21)29-16-7-8-36-12-16/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,26,29,32)(H,27,28,30)(H2,31,33,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117675
PNG
(US8653087, III-355)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8O2/c1-13-2-3-14(22(36)34-19-9-15(4-6-28-19)24(25,26)27)8-17(13)33-21-20-18(30-12-31-21)10-29-23(35-20)32-16-5-7-37-11-16/h2-4,6,8-10,12,16H,5,7,11H2,1H3,(H,28,34,36)(H,29,32,35)(H,30,31,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117676
PNG
(US8653087, III-356)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O3/c1-14-3-4-15(24(37)33-16-5-6-21(38-2)18(10-16)26(27,28)29)9-19(14)35-23-22-20(31-13-32-23)11-30-25(36-22)34-17-7-8-39-12-17/h3-6,9-11,13,17H,7-8,12H2,1-2H3,(H,33,37)(H,30,34,36)(H,31,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117677
PNG
(US8653087, III-357 | US8653087, III-364)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C25H28N8O3/c1-14-5-6-15(23(34)31-20-10-19(36-33-20)25(2,3)4)9-17(14)30-22-21-18(27-13-28-22)11-26-24(32-21)29-16-7-8-35-12-16/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,26,29,32)(H,27,28,30)(H,31,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117678
PNG
(US8653087, III-358)
Show SMILES COCCNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C24H28N8O3/c1-14-6-7-15(22(33)30-19-11-18(35-32-19)24(2,3)4)10-16(14)29-21-20-17(27-13-28-21)12-26-23(31-20)25-8-9-34-5/h6-7,10-13H,8-9H2,1-5H3,(H,25,26,31)(H,27,28,29)(H,30,32,33)
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Boehringer Ingelheim International GmbH

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Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117683
PNG
(US8653087, III-363)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCC[C@H]1CO)C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1S/C26H30N8O3/c1-15-7-8-16(24(36)31-21-11-20(37-33-21)26(2,3)4)10-18(15)30-23-22-19(28-14-29-23)12-27-25(32-22)34-9-5-6-17(34)13-35/h7-8,10-12,14,17,35H,5-6,9,13H2,1-4H3,(H,28,29,30)(H,31,33,36)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117677
PNG
(US8653087, III-357 | US8653087, III-364)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C25H28N8O3/c1-14-5-6-15(23(34)31-20-10-19(36-33-20)25(2,3)4)9-17(14)30-22-21-18(27-13-28-22)11-26-24(32-21)29-16-7-8-35-12-16/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,26,29,32)(H,27,28,30)(H,31,33,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117685
PNG
(US8653087, III-365)
Show SMILES CN(C1CCOC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H30N8O3/c1-15-6-7-16(24(35)31-21-11-20(37-33-21)26(2,3)4)10-18(15)30-23-22-19(28-14-29-23)12-27-25(32-22)34(5)17-8-9-36-13-17/h6-7,10-12,14,17H,8-9,13H2,1-5H3,(H,28,29,30)(H,31,33,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117690
PNG
(US8653087, III-370)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCN(CCN2CCOCC2)CC1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C31H40N10O3/c1-21-5-6-22(29(42)36-26-18-25(44-38-26)31(2,3)4)17-23(21)35-28-27-24(33-20-34-28)19-32-30(37-27)41-11-9-39(10-12-41)7-8-40-13-15-43-16-14-40/h5-6,17-20H,7-16H2,1-4H3,(H,33,34,35)(H,36,38,42)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117702
PNG
(US8653087, III-382)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F4N9O2/c1-40-4-6-41(7-5-40)21-14-19(29(31,32)33)13-20(15-21)37-27(43)18-2-3-22(30)23(12-18)38-26-25-24(35-17-36-26)16-34-28(39-25)42-8-10-44-11-9-42/h2-3,12-17H,4-11H2,1H3,(H,37,43)(H,35,36,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117706
PNG
(US8653087, III-386)
Show SMILES CC(C)(C#N)c1cccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)c1
Show InChI InChI=1S/C27H25FN8O2/c1-27(2,14-29)17-4-3-5-18(11-17)33-25(37)16-6-7-20(28)21(10-16)35-24-23-22(31-15-32-24)12-30-26(36-23)34-19-8-9-38-13-19/h3-7,10-12,15,19H,8-9,13H2,1-2H3,(H,33,37)(H,30,34,36)(H,31,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117708
PNG
(US8653087, III-388)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F4N9O2/c1-41-5-7-42(8-6-41)21-12-18(29(31,32)33)11-20(13-21)37-27(43)17-2-3-22(30)23(10-17)39-26-25-24(35-16-36-26)14-34-28(40-25)38-19-4-9-44-15-19/h2-3,10-14,16,19H,4-9,15H2,1H3,(H,37,43)(H,34,38,40)(H,35,36,39)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117709
PNG
(US8653087, III-389)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1F)C(F)(F)F
Show InChI InChI=1S/C29H28F5N9O2/c1-42-5-7-43(8-6-42)23-12-18(11-19(24(23)31)29(32,33)34)38-27(44)16-2-3-20(30)21(10-16)40-26-25-22(36-15-37-26)13-35-28(41-25)39-17-4-9-45-14-17/h2-3,10-13,15,17H,4-9,14H2,1H3,(H,38,44)(H,35,39,41)(H,36,37,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117710
PNG
(US8653087, III-390)
Show SMILES COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C25H21F4N7O3/c1-38-20-5-3-14(9-16(20)25(27,28)29)33-23(37)13-2-4-17(26)18(8-13)35-22-21-19(31-12-32-22)10-30-24(36-21)34-15-6-7-39-11-15/h2-5,8-10,12,15H,6-7,11H2,1H3,(H,33,37)(H,30,34,36)(H,31,32,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117711
PNG
(US8653087, III-391)
Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)[nH]n1
Show InChI InChI=1S/C24H26FN9O2/c1-24(2,3)18-11-19(33-32-18)30-22(35)14-4-5-15(25)16(10-14)29-21-20-17(27-13-28-21)12-26-23(31-20)34-6-8-36-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,27,28,29)(H2,30,32,33,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117713
PNG
(US8653087, III-393)
Show SMILES Fc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N8O2/c24-15-2-1-13(21(36)33-18-10-14(3-4-28-18)23(25,26)27)9-16(15)32-20-19-17(30-12-31-20)11-29-22(34-19)35-5-7-37-8-6-35/h1-4,9-12H,5-8H2,(H,28,33,36)(H,30,31,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117714
PNG
(US8653087, III-394)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4F)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1
Show InChI InChI=1S/C31H39FN10O2/c1-31(2,3)25-16-26(39-44-25)37-29(43)21-5-6-22(32)23(15-21)36-28-27-24(34-19-35-28)17-33-30(38-27)42-13-11-41(12-14-42)18-20-7-9-40(4)10-8-20/h5-6,15-17,19-20H,7-14,18H2,1-4H3,(H,34,35,36)(H,37,39,43)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117718
PNG
(US8653087, III-398)
Show SMILES CCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3F)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C26H30FN9O2/c1-5-35-8-10-36(11-9-35)25-28-14-19-22(33-25)23(30-15-29-19)31-18-12-16(6-7-17(18)27)24(37)32-21-13-20(38-34-21)26(2,3)4/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,31)(H,32,34,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117730
PNG
(US8653087, III-410)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N7O3/c1-15-5-6-16(23(36)32-17-3-2-4-18(12-17)38-25(26,27)28)11-19(15)33-22-21-20(30-14-31-22)13-29-24(34-21)35-7-9-37-10-8-35/h2-6,11-14H,7-10H2,1H3,(H,32,36)(H,30,31,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117733
PNG
(US8653087, III-413)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(nc23)N2CCN(CC3CCN(C)CC3)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)41-26-17-24(33(34,35)36)6-7-28(26)47-3)16-25(21)40-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,41,46)(H,38,39,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117736
PNG
(US8653087, III-416)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(C)(C)C)c3n2)CC1
Show InChI InChI=1S/C35H45N9O/c1-24-9-10-26(33(45)39-28-8-6-7-27(20-28)35(2,3)4)19-29(24)40-32-31-30(37-23-38-32)21-36-34(41-31)44-17-15-43(16-18-44)22-25-11-13-42(5)14-12-25/h6-10,19-21,23,25H,11-18,22H2,1-5H3,(H,39,45)(H,37,38,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117737
PNG
(US8653087, III-417)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(F)(F)F)c3n2)CC1
Show InChI InChI=1S/C32H36F3N9O/c1-21-6-7-23(30(45)39-25-5-3-4-24(17-25)32(33,34)35)16-26(21)40-29-28-27(37-20-38-29)18-36-31(41-28)44-14-12-43(13-15-44)19-22-8-10-42(2)11-9-22/h3-7,16-18,20,22H,8-15,19H2,1-2H3,(H,39,45)(H,37,38,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117739
PNG
(US8653087, III-419 | US8653087, III-562)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)40-24-6-7-28(47-3)25(17-24)33(34,35)36)16-26(21)41-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,40,46)(H,38,39,41)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117740
PNG
(US8653087, III-420)
Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1
Show InChI InChI=1S/C32H42N10O2/c1-21-6-7-23(30(43)37-27-17-26(44-39-27)32(2,3)4)16-24(21)36-29-28-25(34-20-35-29)18-33-31(38-28)42-14-12-41(13-15-42)19-22-8-10-40(5)11-9-22/h6-7,16-18,20,22H,8-15,19H2,1-5H3,(H,34,35,36)(H,37,39,43)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117743
PNG
(US8653087, III-423)
Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H29F3N8O2/c1-18-6-7-19(26(40)35-21-5-3-4-20(15-21)28(29,30)31)14-22(18)36-25-24-23(33-17-34-25)16-32-27(37-24)39-10-8-38(9-11-39)12-13-41-2/h3-7,14-17H,8-13H2,1-2H3,(H,35,40)(H,33,34,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117746
PNG
(US8653087, III-426)
Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(ccn3)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H28F3N9O2/c1-17-3-4-18(25(40)36-22-14-19(5-6-31-22)27(28,29)30)13-20(17)35-24-23-21(33-16-34-24)15-32-26(37-23)39-9-7-38(8-10-39)11-12-41-2/h3-6,13-16H,7-12H2,1-2H3,(H,31,36,40)(H,33,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117748
PNG
(US8653087, III-428)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NCc3ccccc3)nc12)C(=O)Nc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C31H31N7O/c1-20-13-14-22(29(39)36-24-12-8-11-23(16-24)31(2,3)4)15-25(20)37-28-27-26(34-19-35-28)18-33-30(38-27)32-17-21-9-6-5-7-10-21/h5-16,18-19H,17H2,1-4H3,(H,36,39)(H,32,33,38)(H,34,35,37)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM212404
PNG
(US9290507, II-17)
Show SMILES COCCCN1CCN(CC1)c1cncc(c1)-c1cn(nn1)-c1cc(NC(=O)c2ccc(o2)C(C)(C)C)ccc1C
Show InChI InChI=1S/C31H39N7O3/c1-22-7-8-24(33-30(39)28-9-10-29(41-28)31(2,3)4)18-27(22)38-21-26(34-35-38)23-17-25(20-32-19-23)37-14-12-36(13-15-37)11-6-16-40-5/h7-10,17-21H,6,11-16H2,1-5H3,(H,33,39)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range...


US Patent US9290507 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0F1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM212408
PNG
(US9290507, II-21)
Show SMILES Cc1ccc(NC(=O)c2ccc(o2)C(C)(C)C)cc1-n1cc(nn1)-c1cncc(c1)N1CCNCC1
Show InChI InChI=1S/C27H31N7O2/c1-18-5-6-20(30-26(35)24-7-8-25(36-24)27(2,3)4)14-23(18)34-17-22(31-32-34)19-13-21(16-29-15-19)33-11-9-28-10-12-33/h5-8,13-17,28H,9-12H2,1-4H3,(H,30,35)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range...


US Patent US9290507 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0F1H
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117276
PNG
(US8653087, I-63)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCCN(CC1)c1ncccn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N11O/c1-18-7-8-19(27(45)39-21-6-2-5-20(16-21)30(31,32)33)15-22(18)40-26-24-23(37-17-38-26)25(34)42-29(41-24)44-12-4-11-43(13-14-44)28-35-9-3-10-36-28/h2-3,5-10,15-17H,4,11-14H2,1H3,(H,39,45)(H2,34,41,42)(H,37,38,40)
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US Patent
n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117277
PNG
(US8653087, I-64)
Show SMILES CC(C)N1CCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H30F3N9O/c1-16(2)39-9-11-40(12-10-39)27-37-23-22(24(32)38-27)33-15-34-25(23)36-21-13-18(8-7-17(21)3)26(41)35-20-6-4-5-19(14-20)28(29,30)31/h4-8,13-16H,9-12H2,1-3H3,(H,35,41)(H2,32,37,38)(H,33,34,36)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117278
PNG
(US8653087, I-65)
Show SMILES CN1C[C@H]2C[C@@H]1CN2c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C27H26F3N9O/c1-14-6-7-15(25(40)34-17-5-3-4-16(9-17)27(28,29)30)8-20(14)35-24-22-21(32-13-33-24)23(31)37-26(36-22)39-12-18-10-19(39)11-38(18)2/h3-9,13,18-19H,10-12H2,1-2H3,(H,34,40)(H2,31,36,37)(H,32,33,35)/t18-,19-/m1/s1
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117279
PNG
(US8653087, I-66)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCNCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N9O/c1-14-5-6-15(23(38)33-17-4-2-3-16(12-17)25(26,27)28)11-18(14)34-22-20-19(31-13-32-22)21(29)36-24(35-20)37-9-7-30-8-10-37/h2-6,11-13,30H,7-10H2,1H3,(H,33,38)(H2,29,35,36)(H,31,32,34)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117281
PNG
(US8653087, I-68)
Show SMILES CN1CCCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H28F3N9O/c1-16-7-8-17(25(40)34-19-6-3-5-18(14-19)27(28,29)30)13-20(16)35-24-22-21(32-15-33-24)23(31)37-26(36-22)39-10-4-9-38(2)11-12-39/h3,5-8,13-15H,4,9-12H2,1-2H3,(H,34,40)(H2,31,36,37)(H,32,33,35)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117289
PNG
(US8653087, I-76)
Show SMILES CN(C)CCN(C)c1cc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H35F3N10O2/c1-18-5-6-19(28(44)37-21-14-20(30(31,32)33)15-22(16-21)42(4)8-7-41(2)3)13-23(18)38-27-25-24(35-17-36-27)26(34)40-29(39-25)43-9-11-45-12-10-43/h5-6,13-17H,7-12H2,1-4H3,(H,37,44)(H2,34,39,40)(H,35,36,38)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117322
PNG
(US8653087, III-2)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N7O3/c1-15-3-4-16(24(37)33-17-5-6-21(38-2)18(12-17)26(27,28)29)11-19(15)34-23-22-20(31-14-32-23)13-30-25(35-22)36-7-9-39-10-8-36/h3-6,11-14H,7-10H2,1-2H3,(H,33,37)(H,31,32,34)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117327
PNG
(US8653087, III-7)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(nc34)N3CCCN(C)CC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C27H26ClF3N8O2/c1-38-8-3-9-39(11-10-38)26-32-14-21-23(37-26)24(34-15-33-21)36-20-12-16(4-6-19(20)28)25(40)35-17-5-7-22(41-2)18(13-17)27(29,30)31/h4-7,12-15H,3,8-11H2,1-2H3,(H,35,40)(H,33,34,36)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117339
PNG
(US8653087, III-19)
Show SMILES COc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCCCCC1)C(=O)Nc1ccc(OC)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F3N7O3/c1-40-22-10-8-18(14-19(22)28(29,30)31)35-26(39)17-7-9-23(41-2)20(13-17)36-25-24-21(33-16-34-25)15-32-27(37-24)38-11-5-3-4-6-12-38/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,35,39)(H,33,34,36)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117351
PNG
(US8653087, III-31)
Show SMILES COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N(C)CCN(C)C)c2)cc1C(F)(F)F
Show InChI InChI=1S/C26H26F4N8O2/c1-37(2)9-10-38(3)25-31-13-20-22(36-25)23(33-14-32-20)35-19-11-15(5-7-18(19)27)24(39)34-16-6-8-21(40-4)17(12-16)26(28,29)30/h5-8,11-14H,9-10H2,1-4H3,(H,34,39)(H,32,33,35)
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n/an/a<1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair
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