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Compile Data Set for Download or QSAR

Found 1027 hits with Last Name = 'ahn' and Initial = 'sk'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250432
PNG
(US9464044, 22)
Show SMILES CN(CC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H30FN3O4S/c1-27(32(30,31)18-5-3-2-4-17(18)24)13-22(6-7-22)21(29)26-19-15-8-14-9-16(19)12-23(10-14,11-15)20(25)28/h2-5,14-16,19H,6-13H2,1H3,(H2,25,28)(H,26,29)/t14?,15?,16?,19-,23?
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n/an/a 0.0200n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112149
PNG
(CHEMBL3609877)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.100n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250460
PNG
(US9464044, 62)
Show SMILES CN(C1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H28ClN3O4S/c1-26(31(29,30)17-4-2-3-16(23)9-17)22(5-6-22)20(28)25-18-14-7-13-8-15(18)12-21(10-13,11-14)19(24)27/h2-4,9,13-15,18H,5-8,10-12H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,21?
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n/an/a 0.120n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112154
PNG
(CHEMBL3608403)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.200n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112151
PNG
(CHEMBL3608400)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-7-14(22)3-4-15(16)23)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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n/an/a 0.300n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250418
PNG
(US9464044, 8)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4F)CC1)C(C3)C2
Show InChI InChI=1S/C22H27ClFN3O4S/c23-15-2-1-3-16(17(15)24)32(30,31)26-11-21(4-5-21)20(29)27-18-13-6-12-7-14(18)10-22(8-12,9-13)19(25)28/h1-3,12-14,18,26H,4-11H2,(H2,25,28)(H,27,29)/t12?,13?,14?,18-,22?
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n/an/a 0.300n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112152
PNG
(CHEMBL3608401 | US9464044, 84)
Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21?
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n/an/a 0.360n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250453
PNG
(US9464044, 50)
Show SMILES Cn1ccc2cccc(c12)S(=O)(=O)NC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)/t14?,16?,17?,19-,23?
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n/an/a 0.400n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112152
PNG
(CHEMBL3608401 | US9464044, 84)
Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21?
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n/an/a 0.400n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112133
PNG
(CHEMBL3609861 | US9464044, 71)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?
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n/an/a 0.600n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304788
PNG
(CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112133
PNG
(CHEMBL3609861 | US9464044, 71)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?
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n/an/a 0.600n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50112143
PNG
(CHEMBL3609871 | US9464044, 73)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-4-15(22)8-16)19(27)24-17-13-6-12-7-14(17)11-21(9-12,10-13)18(23)26/h3-5,8,12-14,17,25H,6-7,9-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?
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n/an/a 0.830n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM250486
PNG
(US9464044, 119)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c1)C(C3)C2
Show InChI InChI=1S/C24H25Cl2N3O4S/c25-17-7-18(26)9-20(8-17)34(32,33)29-19-3-1-2-14(6-19)22(30)28-21-15-4-13-5-16(21)12-24(10-13,11-15)23(27)31/h1-3,6-9,13,15-16,21,29H,4-5,10-12H2,(H2,27,31)(H,28,30)/t13?,15?,16?,21-,24?
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n/an/a 0.900n/an/an/an/an/an/a



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM117940
PNG
(US8653087, IV-12)
Show SMILES CN(C)c1ncc2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)c2n1
Show InChI InChI=1S/C26H26N8O/c1-16-9-10-19(31-24(35)17-7-6-8-18(11-17)26(2,3)14-27)12-20(16)32-23-22-21(29-15-30-23)13-28-25(33-22)34(4)5/h6-13,15H,1-5H3,(H,31,35)(H,29,30,32)
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n/an/a 1n/an/an/an/an/an/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))
BDBM117955
PNG
(US8653087, IV-27)
Show SMILES CCN1CCN(CC1)c1ncc2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)c2n1
Show InChI InChI=1S/C30H33N9O/c1-5-38-11-13-39(14-12-38)29-32-17-25-26(37-29)27(34-19-33-25)36-24-16-23(10-9-20(24)2)35-28(40)21-7-6-8-22(15-21)30(3,4)18-31/h6-10,15-17,19H,5,11-14H2,1-4H3,(H,35,40)(H,33,34,36)
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n/an/a 1n/an/an/an/an/an/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))
BDBM117956
PNG
(US8653087, IV-28)
Show SMILES CN1CCC(CC1)Nc1ncc2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)c2n1
Show InChI InChI=1S/C30H33N9O/c1-19-8-9-23(35-28(40)20-6-5-7-21(14-20)30(2,3)17-31)15-24(19)37-27-26-25(33-18-34-27)16-32-29(38-26)36-22-10-12-39(4)13-11-22/h5-9,14-16,18,22H,10-13H2,1-4H3,(H,35,40)(H,32,36,38)(H,33,34,37)
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n/an/a 1n/an/an/an/an/an/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))
BDBM117957
PNG
(US8653087, IV-29)
Show SMILES CN(C1CCN(C)CC1)c1ncc2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)c2n1
Show InChI InChI=1S/C31H35N9O/c1-20-9-10-23(36-29(41)21-7-6-8-22(15-21)31(2,3)18-32)16-25(20)37-28-27-26(34-19-35-28)17-33-30(38-27)40(5)24-11-13-39(4)14-12-24/h6-10,15-17,19,24H,11-14H2,1-5H3,(H,36,41)(H,34,35,37)
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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))
BDBM117958
PNG
(US8653087, IV-30 | US8653087, IV-32)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ncnc2cnc(NC3CCOC3)nc12
Show InChI InChI=1S/C28H28N8O2/c1-17-7-8-20(33-26(37)18-5-4-6-19(11-18)28(2,3)15-29)12-22(17)35-25-24-23(31-16-32-25)13-30-27(36-24)34-21-9-10-38-14-21/h4-8,11-13,16,21H,9-10,14H2,1-3H3,(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))
BDBM117958
PNG
(US8653087, IV-30 | US8653087, IV-32)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ncnc2cnc(NC3CCOC3)nc12
Show InChI InChI=1S/C28H28N8O2/c1-17-7-8-20(33-26(37)18-5-4-6-19(11-18)28(2,3)15-29)12-22(17)35-25-24-23(31-16-32-25)13-30-27(36-24)34-21-9-10-38-14-21/h4-8,11-13,16,21H,9-10,14H2,1-3H3,(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))
BDBM117965
PNG
(US8653087, IV-37)
Show SMILES CN(C1CCOC1)c1ncc2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)c2n1
Show InChI InChI=1S/C29H30N8O2/c1-18-8-9-21(34-27(38)19-6-5-7-20(12-19)29(2,3)16-30)13-23(18)35-26-25-24(32-17-33-26)14-31-28(36-25)37(4)22-10-11-39-15-22/h5-9,12-14,17,22H,10-11,15H2,1-4H3,(H,34,38)(H,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))
BDBM118007
PNG
(US8653087, VII-1)
Show SMILES CNc1ncnc2c(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)ncnc12
Show InChI InChI=1S/C22H24N8O2/c1-12-6-7-13(21(31)29-16-9-15(32-30-16)22(2,3)4)8-14(12)28-20-18-17(24-11-27-20)19(23-5)26-10-25-18/h6-11H,1-5H3,(H,23,25,26)(H,24,27,28)(H,29,30,31)
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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))
BDBM118008
PNG
(US8653087, VIII-1)
Show SMILES CNc1ncnc2c(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)ncnc12
Show InChI InChI=1S/C25H24N8O/c1-15-8-9-18(32-24(34)16-6-5-7-17(10-16)25(2,3)12-26)11-19(15)33-23-21-20(28-14-31-23)22(27-4)30-13-29-21/h5-11,13-14H,1-4H3,(H,32,34)(H,27,29,30)(H,28,31,33)
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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))
BDBM117223
PNG
(US8653087, I-10)
Show SMILES CN1CCC(CC1)N1CCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C31H41N11O2/c1-19-6-7-20(29(43)36-24-17-23(44-39-24)31(2,3)4)16-22(19)35-28-26-25(33-18-34-28)27(32)38-30(37-26)42-14-12-41(13-15-42)21-8-10-40(5)11-9-21/h6-7,16-18,21H,8-15H2,1-5H3,(H2,32,37,38)(H,33,34,35)(H,36,39,43)
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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))
BDBM117224
PNG
(US8653087, I-11)
Show SMILES CN1CCCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1
Show InChI InChI=1S/C27H34N10O2/c1-16-7-8-17(25(38)32-20-14-19(39-35-20)27(2,3)4)13-18(16)31-24-22-21(29-15-30-24)23(28)34-26(33-22)37-10-6-9-36(5)11-12-37/h7-8,13-15H,6,9-12H2,1-5H3,(H2,28,33,34)(H,29,30,31)(H,32,35,38)
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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))
BDBM117228
PNG
(US8653087, I-15)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(nc34)N3CCN(CC3)C3CCN(C)CC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C32H37F3N10O2/c1-19-4-5-20(30(46)39-21-6-7-25(47-3)23(17-21)32(33,34)35)16-24(19)40-29-27-26(37-18-38-29)28(36)42-31(41-27)45-14-12-44(13-15-45)22-8-10-43(2)11-9-22/h4-7,16-18,22H,8-15H2,1-3H3,(H,39,46)(H2,36,41,42)(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))
BDBM117229
PNG
(US8653087, I-16)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C33H39F3N10O2/c1-20-4-5-22(31(47)40-23-6-7-26(48-3)24(17-23)33(34,35)36)16-25(20)41-30-28-27(38-19-39-30)29(37)43-32(42-28)46-14-12-45(13-15-46)18-21-8-10-44(2)11-9-21/h4-7,16-17,19,21H,8-15,18H2,1-3H3,(H,40,47)(H2,37,42,43)(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))
BDBM117230
PNG
(US8653087, I-17)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(nc34)N3CCCN(C)CC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C28H30F3N9O2/c1-16-5-6-17(26(41)35-18-7-8-21(42-3)19(14-18)28(29,30)31)13-20(16)36-25-23-22(33-15-34-25)24(32)38-27(37-23)40-10-4-9-39(2)11-12-40/h5-8,13-15H,4,9-12H2,1-3H3,(H,35,41)(H2,32,37,38)(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))
BDBM117268
PNG
(US8653087, I-55)
Show SMILES CN1CCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C26H26F3N9O/c1-15-6-7-16(24(39)33-18-5-3-4-17(13-18)26(27,28)29)12-19(15)34-23-21-20(31-14-32-23)22(30)36-25(35-21)38-10-8-37(2)9-11-38/h3-7,12-14H,8-11H2,1-2H3,(H,33,39)(H2,30,35,36)(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))
BDBM117269
PNG
(US8653087, I-56)
Show SMILES CN1CCC(CC1)N1CCN(CC1)c1nc(N)c2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C31H35F3N10O/c1-19-6-7-20(29(45)38-22-5-3-4-21(17-22)31(32,33)34)16-24(19)39-28-26-25(36-18-37-28)27(35)41-30(40-26)44-14-12-43(13-15-44)23-8-10-42(2)11-9-23/h3-7,16-18,23H,8-15H2,1-2H3,(H,38,45)(H2,35,40,41)(H,36,37,39)
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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))
BDBM117270
PNG
(US8653087, I-57)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCN(CC1)C1CCCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H32F3N9O/c1-18-9-10-19(28(43)37-21-6-4-5-20(16-21)30(31,32)33)15-23(18)38-27-25-24(35-17-36-27)26(34)40-29(39-25)42-13-11-41(12-14-42)22-7-2-3-8-22/h4-6,9-10,15-17,22H,2-3,7-8,11-14H2,1H3,(H,37,43)(H2,34,39,40)(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))
BDBM117271
PNG
(US8653087, I-58)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCCN(CC1)C1CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N9O/c1-17-6-7-18(27(42)36-20-5-2-4-19(15-20)29(30,31)32)14-22(17)37-26-24-23(34-16-35-26)25(33)39-28(38-24)41-11-3-10-40(12-13-41)21-8-9-21/h2,4-7,14-16,21H,3,8-13H2,1H3,(H,36,42)(H2,33,38,39)(H,34,35,37)
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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))
BDBM117272
PNG
(US8653087, I-59)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCCNCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H26F3N9O/c1-15-6-7-16(24(39)34-18-5-2-4-17(13-18)26(27,28)29)12-19(15)35-23-21-20(32-14-33-23)22(30)37-25(36-21)38-10-3-8-31-9-11-38/h2,4-7,12-14,31H,3,8-11H2,1H3,(H,34,39)(H2,30,36,37)(H,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))
BDBM117273
PNG
(US8653087, I-60)
Show SMILES Cc1ccc(cc1Nc1ncnc2c(N)nc(nc12)N1CCCN(CC1)c1ccncc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N10O/c1-19-6-7-20(29(45)39-22-5-2-4-21(17-22)31(32,33)34)16-24(19)40-28-26-25(37-18-38-28)27(35)42-30(41-26)44-13-3-12-43(14-15-44)23-8-10-36-11-9-23/h2,4-11,16-18H,3,12-15H2,1H3,(H,39,45)(H2,35,41,42)(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))
BDBM117274
PNG
(US8653087, I-61)
Show SMILES CN1CCC(CN2CCN(CC2)c2nc(N)c3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(F)(F)F)c3n2)CC1
Show InChI InChI=1S/C32H37F3N10O/c1-20-6-7-22(30(46)39-24-5-3-4-23(17-24)32(33,34)35)16-25(20)40-29-27-26(37-19-38-29)28(36)42-31(41-27)45-14-12-44(13-15-45)18-21-8-10-43(2)11-9-21/h3-7,16-17,19,21H,8-15,18H2,1-2H3,(H,39,46)(H2,36,41,42)(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))
BDBM117833
PNG
(US8653087, III-513)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(nn1C)C(C)(C)C
Show InChI InChI=1S/C26H31N9O2/c1-16-6-7-17(24(36)31-21-13-20(26(2,3)4)33-34(21)5)12-18(16)30-23-22-19(28-15-29-23)14-27-25(32-22)35-8-10-37-11-9-35/h6-7,12-15H,8-11H2,1-5H3,(H,31,36)(H,28,29,30)
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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))
BDBM117834
PNG
(US8653087, III-514)
Show SMILES CN(CCF)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(cc(c3)C(F)(F)F)N3CCCN(C)CC3)c2n1
Show InChI InChI=1S/C30H33F4N9O/c1-19-5-6-20(13-24(19)39-27-26-25(36-18-37-27)17-35-29(40-26)42(3)10-7-31)28(44)38-22-14-21(30(32,33)34)15-23(16-22)43-9-4-8-41(2)11-12-43/h5-6,13-18H,4,7-12H2,1-3H3,(H,38,44)(H,36,37,39)
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n/an/a 1n/an/an/an/an/an/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))
BDBM117835
PNG
(US8653087, III-515)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(n[nH]1)C(C)(C)C
Show InChI InChI=1S/C25H29N9O2/c1-15-5-6-16(23(35)30-20-12-19(32-33-20)25(2,3)4)11-17(15)29-22-21-18(27-14-28-22)13-26-24(31-21)34-7-9-36-10-8-34/h5-6,11-14H,7-10H2,1-4H3,(H,27,28,29)(H2,30,32,33,35)
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n/an/a<1n/an/an/an/an/an/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))
BDBM117836
PNG
(US8653087, III-516)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C25H28N8O3/c1-15-5-6-16(23(34)30-20-12-19(36-32-20)25(2,3)4)11-17(15)29-22-21-18(27-14-28-22)13-26-24(31-21)33-7-9-35-10-8-33/h5-6,11-14H,7-10H2,1-4H3,(H,27,28,29)(H,30,32,34)
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US Patent
n/an/a<1n/an/an/an/an/an/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))
BDBM117839
PNG
(US8653087, III-519)
Show SMILES CC(C)CNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(ccn3)C(F)(F)F)c2n1
Show InChI InChI=1S/C24H23F3N8O/c1-13(2)10-29-23-30-11-18-20(35-23)21(32-12-31-18)33-17-8-15(5-4-14(17)3)22(36)34-19-9-16(6-7-28-19)24(25,26)27/h4-9,11-13H,10H2,1-3H3,(H,28,34,36)(H,29,30,35)(H,31,32,33)
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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))
BDBM117843
PNG
(US8653087, III-523)
Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(OCCN2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N8O3/c1-20-4-5-21(14-25(20)39-28-27-26(36-19-37-28)18-35-30(40-27)42-9-11-44-12-10-42)29(43)38-23-15-22(31(32,33)34)16-24(17-23)45-13-8-41-6-2-3-7-41/h4-5,14-19H,2-3,6-13H2,1H3,(H,38,43)(H,36,37,39)
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n/an/a 1n/an/an/an/an/an/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))
BDBM117847
PNG
(US8653087, III-527)
Show SMILES C[C@@H]1CN(CCN1)c1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H32F3N9O2/c1-18-3-4-20(28(43)38-22-12-21(30(31,32)33)13-23(14-22)42-6-5-34-19(2)16-42)11-24(18)39-27-26-25(36-17-37-27)15-35-29(40-26)41-7-9-44-10-8-41/h3-4,11-15,17,19,34H,5-10,16H2,1-2H3,(H,38,43)(H,36,37,39)/t19-/m1/s1
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n/an/a<1n/an/an/an/an/an/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))
BDBM117856
PNG
(US8653087, III-536)
Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H28F4N8O2/c1-17-3-4-18(26(41)36-19-5-6-21(29)20(14-19)28(30,31)32)13-22(17)37-25-24-23(34-16-35-25)15-33-27(38-24)40-9-7-39(8-10-40)11-12-42-2/h3-6,13-16H,7-12H2,1-2H3,(H,36,41)(H,34,35,37)
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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))
BDBM117864
PNG
(US8653087, III-544)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NCC5CCCCO5)nc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C28H28F3N7O3/c1-16-6-7-17(26(39)36-18-8-9-23(40-2)20(12-18)28(29,30)31)11-21(16)37-25-24-22(34-15-35-25)14-33-27(38-24)32-13-19-5-3-4-10-41-19/h6-9,11-12,14-15,19H,3-5,10,13H2,1-2H3,(H,36,39)(H,32,33,38)(H,34,35,37)
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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))
BDBM117867
PNG
(US8653087, III-547)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NCC(C)C)nc34)c2)cc1C(F)(F)F
Show InChI InChI=1S/C26H26F3N7O2/c1-14(2)11-30-25-31-12-20-22(36-25)23(33-13-32-20)35-19-9-16(6-5-15(19)3)24(37)34-17-7-8-21(38-4)18(10-17)26(27,28)29/h5-10,12-14H,11H2,1-4H3,(H,34,37)(H,30,31,36)(H,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))
BDBM117871
PNG
(US8653087, III-551)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCCOCC3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C27H26F3N7O3/c1-16-4-5-17(25(38)34-18-6-7-22(39-2)19(13-18)27(28,29)30)12-20(16)35-24-23-21(32-15-33-24)14-31-26(36-23)37-8-3-10-40-11-9-37/h4-7,12-15H,3,8-11H2,1-2H3,(H,34,38)(H,32,33,35)
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n/an/a 1n/an/an/an/an/an/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))
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))
BDBM117884
PNG
(US8653087, III-564)
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N(C)C3CCN(C)C3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C28H29F3N8O2/c1-16-5-6-17(26(40)35-18-7-8-23(41-4)20(12-18)28(29,30)31)11-21(16)36-25-24-22(33-15-34-25)13-32-27(37-24)39(3)19-9-10-38(2)14-19/h5-8,11-13,15,19H,9-10,14H2,1-4H3,(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))
BDBM117888
PNG
(US8653087, III-568)
Show SMILES COc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H17F3N6O2/c1-12-6-7-13(20(32)29-15-5-3-4-14(9-15)22(23,24)25)8-16(12)30-19-18-17(27-11-28-19)10-26-21(31-18)33-2/h3-11H,1-2H3,(H,29,32)(H,27,28,30)
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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))
BDBM117890
PNG
(US8653087, III-570)
Show SMILES COc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(C)(C)C)c2n1
Show InChI InChI=1S/C25H26N6O2/c1-15-9-10-16(23(32)29-18-8-6-7-17(12-18)25(2,3)4)11-19(15)30-22-21-20(27-14-28-22)13-26-24(31-21)33-5/h6-14H,1-5H3,(H,29,32)(H,27,28,30)
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n/an/a<1n/an/an/an/an/an/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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