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Compile Data Set for Download or QSAR

Found 687 hits with Last Name = 'hübsch' and Initial = 'w'   
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302404
PNG
(US9598416, Example 50)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCN(C)CC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H26N6OS/c1-14-8-15-10-18(30-21(15)17(9-14)29-3)19-16(11-27-6-4-26(2)5-7-27)12-28-20(19)22(23)24-13-25-28/h8-10,12-13H,4-7,11H2,1-3H3,(H2,23,24,25)
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n/an/a 0.100n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302362
PNG
(6-[(2-Aminoethoxy)methyl]-5-(7-methoxy-5-methyl-1-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCCN)cn2ncnc(N)c12
Show InChI InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302363
PNG
(N-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC(C)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O2S/c1-10-4-12-6-15(27-18(12)14(5-10)26-3)16-13(7-21-11(2)25)8-24-17(16)19(20)22-9-23-24/h4-6,8-9H,7H2,1-3H3,(H,21,25)(H2,20,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302362
PNG
(6-[(2-Aminoethoxy)methyl]-5-(7-methoxy-5-methyl-1-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCCN)cn2ncnc(N)c12
Show InChI InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM194899
PNG
(US9206184, 80)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)c(Cl)n2ncnc(N)c12
Show InChI InChI=1S/C21H21ClN6O2S/c1-11-5-12-7-15(31-19(12)14(6-11)30-2)17-13(8-27-4-3-24-16(29)9-27)20(22)28-18(17)21(23)25-10-26-28/h5-7,10H,3-4,8-9H2,1-2H3,(H,24,29)(H2,23,25,26)
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n/an/a 0.200n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302404
PNG
(US9598416, Example 50)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCN(C)CC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H26N6OS/c1-14-8-15-10-18(30-21(15)17(9-14)29-3)19-16(11-27-6-4-26(2)5-7-27)12-28-20(19)22(23)24-13-25-28/h8-10,12-13H,4-7,11H2,1-3H3,(H2,23,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302385
PNG
(4-{[4-Amino-5-(5-chloro-7-methoxy-1-benzothiophen-...)
Show SMILES COc1cc(Cl)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C20H19ClN6O2S/c1-29-14-6-13(21)4-11-5-15(30-19(11)14)17-12(7-26-3-2-23-16(28)9-26)8-27-18(17)20(22)24-10-25-27/h4-6,8,10H,2-3,7,9H2,1H3,(H,23,28)(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302379
PNG
(5-(7-Methoxy-5-methyl-1-benzothiophen-2-yl)-6-(pip...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNCC2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H24N6OS/c1-13-7-14-9-17(29-20(14)16(8-13)28-2)18-15(10-26-5-3-23-4-6-26)11-27-19(18)21(22)24-12-25-27/h7-9,11-12,23H,3-6,10H2,1-2H3,(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302365
PNG
(4-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O2S/c1-12-5-13-7-16(30-20(13)15(6-12)29-2)18-14(8-26-4-3-23-17(28)10-26)9-27-19(18)21(22)24-11-25-27/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,23,28)(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194880
PNG
(US9206184, 61)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(-c2cnco2)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H25N7O2S/c1-14-7-15-9-19(34-23(15)17(8-14)32-2)21-20(18-10-27-13-33-18)16(11-30-5-3-26-4-6-30)31-22(21)24(25)28-12-29-31/h7-10,12-13,26H,3-6,11H2,1-2H3,(H2,25,28,29)
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n/an/a 0.5n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302420
PNG
(US9598416, Example 66)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CC[C@@H](C2)N(C)C)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C23H28N6OS/c1-14-7-15-9-19(31-22(15)18(8-14)30-4)20-16(10-28-6-5-17(12-28)27(2)3)11-29-21(20)23(24)25-13-26-29/h7-9,11,13,17H,5-6,10,12H2,1-4H3,(H2,24,25,26)/t17-/m0/s1
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM194900
PNG
(US9206184, 81 | US9206184, 82)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(C)(C)O)c(Cl)n2ncnc(N)c12
Show InChI InChI=1S/C21H24ClN5O2S/c1-11-5-12-7-15(30-18(12)14(6-11)29-4)16-13(8-24-9-21(2,3)28)19(22)27-17(16)20(23)25-10-26-27/h5-7,10,24,28H,8-9H2,1-4H3,(H2,23,25,26)
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n/an/a 0.5n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194837
PNG
(US9206184, 18 | US9206184, 19)
Show SMILES CCOCc1c(CN2CCNCC2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1
Show InChI InChI=1S/C24H30N6O2S/c1-4-32-13-17-18(12-29-7-5-26-6-8-29)30-22(24(25)27-14-28-30)21(17)20-11-16-9-15(2)10-19(31-3)23(16)33-20/h9-11,14,26H,4-8,12-13H2,1-3H3,(H2,25,27,28)
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n/an/a 0.5n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302381
PNG
((3S)-3-({[4-Amino-5-(7-methoxy-5-methyl-1-benzothi...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN[C@H]2CCNC2=O)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C21H22N6O2S/c1-11-5-12-7-16(30-19(12)15(6-11)29-2)17-13(8-24-14-3-4-23-21(14)28)9-27-18(17)20(22)25-10-26-27/h5-7,9-10,14,24H,3-4,8H2,1-2H3,(H,23,28)(H2,22,25,26)/t14-/m0/s1
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302385
PNG
(4-{[4-Amino-5-(5-chloro-7-methoxy-1-benzothiophen-...)
Show SMILES COc1cc(Cl)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C20H19ClN6O2S/c1-29-14-6-13(21)4-11-5-15(30-19(11)14)17-12(7-26-3-2-23-16(28)9-26)8-27-18(17)20(22)24-10-25-27/h4-6,8,10H,2-3,7,9H2,1H3,(H,23,28)(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302379
PNG
(5-(7-Methoxy-5-methyl-1-benzothiophen-2-yl)-6-(pip...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNCC2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H24N6OS/c1-13-7-14-9-17(29-20(14)16(8-13)28-2)18-15(10-26-5-3-23-4-6-26)11-27-19(18)21(22)24-12-25-27/h7-9,11-12,23H,3-6,10H2,1-2H3,(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302421
PNG
(US9598416, Example 67)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCC(C2)N(C)C)cn2ncnc(N)c12
Show InChI InChI=1S/C24H30N6OS/c1-15-8-16-10-20(32-23(16)19(9-15)31-4)21-17(12-30-22(21)24(25)26-14-27-30)11-29-7-5-6-18(13-29)28(2)3/h8-10,12,14,18H,5-7,11,13H2,1-4H3,(H2,25,26,27)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302419
PNG
(US9598416, Example 65)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CC[C@H](C2)N(C)C)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C23H28N6OS/c1-14-7-15-9-19(31-22(15)18(8-14)30-4)20-16(10-28-6-5-17(12-28)27(2)3)11-29-21(20)23(24)25-13-26-29/h7-9,11,13,17H,5-6,10,12H2,1-4H3,(H2,24,25,26)/t17-/m1/s1
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302363
PNG
(N-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC(C)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O2S/c1-10-4-12-6-15(27-18(12)14(5-10)26-3)16-13(7-21-11(2)25)8-24-17(16)19(20)22-9-23-24/h4-6,8-9H,7H2,1-3H3,(H,21,25)(H2,20,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194844
PNG
(US9206184, 25)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCC2CC2)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O2S/c1-16-9-18-11-22(35-25(18)21(10-16)33-2)23-19(14-34-13-17-3-4-17)20(12-31-7-5-28-6-8-31)32-24(23)26(27)29-15-30-32/h9-11,15,17,28H,3-8,12-14H2,1-2H3,(H2,27,29,30)
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n/an/a 0.700n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194837
PNG
(US9206184, 18 | US9206184, 19)
Show SMILES CCOCc1c(CN2CCNCC2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1
Show InChI InChI=1S/C24H30N6O2S/c1-4-32-13-17-18(12-29-7-5-26-6-8-29)30-22(24(25)27-14-28-30)21(17)20-11-16-9-15(2)10-19(31-3)23(16)33-20/h9-11,14,26H,4-8,12-13H2,1-3H3,(H2,25,27,28)
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n/an/a 0.700n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302419
PNG
(US9598416, Example 65)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CC[C@H](C2)N(C)C)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C23H28N6OS/c1-14-7-15-9-19(31-22(15)18(8-14)30-4)20-16(10-28-6-5-17(12-28)27(2)3)11-29-21(20)23(24)25-13-26-29/h7-9,11,13,17H,5-6,10,12H2,1-4H3,(H2,24,25,26)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM194891
PNG
(US9206184, 72)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC(C)=O)c(CNC(C)=O)n2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O3S/c1-11-5-14-7-18(32-21(14)17(6-11)31-4)19-15(8-24-12(2)29)16(9-25-13(3)30)28-20(19)22(23)26-10-27-28/h5-7,10H,8-9H2,1-4H3,(H,24,29)(H,25,30)(H2,23,26,27)
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n/an/a 0.700n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302405
PNG
(US9598416, Example 51)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCCC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H25N5OS/c1-14-8-15-10-18(29-21(15)17(9-14)28-2)19-16(11-26-6-4-3-5-7-26)12-27-20(19)22(23)24-13-25-27/h8-10,12-13H,3-7,11H2,1-2H3,(H2,23,24,25)
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n/an/a 0.700n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302422
PNG
(US9598416, Example 68)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCN(C)CC2)cn2ncnc(N)c12
Show InChI InChI=1S/C23H28N6OS/c1-15-9-16-11-19(31-22(16)18(10-15)30-3)20-17(12-28-6-4-5-27(2)7-8-28)13-29-21(20)23(24)25-14-26-29/h9-11,13-14H,4-8,12H2,1-3H3,(H2,24,25,26)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302368
PNG
(N2-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN(C)CC(N)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C20H22N6O2S/c1-11-4-12-6-15(29-19(12)14(5-11)28-3)17-13(7-25(2)9-16(21)27)8-26-18(17)20(22)23-10-24-26/h4-6,8,10H,7,9H2,1-3H3,(H2,21,27)(H2,22,23,24)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302381
PNG
((3S)-3-({[4-Amino-5-(7-methoxy-5-methyl-1-benzothi...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN[C@H]2CCNC2=O)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C21H22N6O2S/c1-11-5-12-7-16(30-19(12)15(6-11)29-2)17-13(8-24-14-3-4-23-21(14)28)9-27-18(17)20(22)25-10-26-27/h5-7,9-10,14,24H,3-4,8H2,1-2H3,(H,23,28)(H2,22,25,26)/t14-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194845
PNG
(US9206184, 26)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COC2CCC2)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C26H32N6O2S/c1-16-10-17-12-22(35-25(17)21(11-16)33-2)23-19(14-34-18-4-3-5-18)20(13-31-8-6-28-7-9-31)32-24(23)26(27)29-15-30-32/h10-12,15,18,28H,3-9,13-14H2,1-2H3,(H2,27,29,30)
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n/an/a 0.900n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194841
PNG
(US9206184, 22)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCCO)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H30N6O3S/c1-15-9-16-11-20(34-23(16)19(10-15)32-2)21-17(13-33-8-7-31)18(12-29-5-3-26-4-6-29)30-22(21)24(25)27-14-28-30/h9-11,14,26,31H,3-8,12-13H2,1-2H3,(H2,25,27,28)
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n/an/a 0.900n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194836
PNG
(US9206184, 17)
Show SMILES COCc1c(CN2CCNCC2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1
Show InChI InChI=1S/C23H28N6O2S/c1-14-8-15-10-19(32-22(15)18(9-14)31-3)20-16(12-30-2)17(11-28-6-4-25-5-7-28)29-21(20)23(24)26-13-27-29/h8-10,13,25H,4-7,11-12H2,1-3H3,(H2,24,26,27)
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n/an/a 0.900n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM194880
PNG
(US9206184, 61)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(-c2cnco2)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H25N7O2S/c1-14-7-15-9-19(34-23(15)17(8-14)32-2)21-20(18-10-27-13-33-18)16(11-30-5-3-26-4-6-30)31-22(21)24(25)28-12-29-31/h7-10,12-13,26H,3-6,11H2,1-2H3,(H2,25,28,29)
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n/an/a 0.900n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302421
PNG
(US9598416, Example 67)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCC(C2)N(C)C)cn2ncnc(N)c12
Show InChI InChI=1S/C24H30N6OS/c1-15-8-16-10-20(32-23(16)19(9-15)31-4)21-17(12-30-22(21)24(25)26-14-27-30)11-29-7-5-6-18(13-29)28(2)3/h8-10,12,14,18H,5-7,11,13H2,1-4H3,(H2,25,26,27)
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n/an/a 0.900n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM194834
PNG
(US9206184, 15)
Show SMILES CCOCc1c(CN2CC[C@](C)(N)C2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1 |r|
Show InChI InChI=1S/C25H32N6O2S/c1-5-33-12-17-18(11-30-7-6-25(3,27)13-30)31-22(24(26)28-14-29-31)21(17)20-10-16-8-15(2)9-19(32-4)23(16)34-20/h8-10,14H,5-7,11-13,27H2,1-4H3,(H2,26,28,29)/t25-/m0/s1
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n/an/a 1n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194883
PNG
(US9206184, 64)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC(C)=O)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H29N7O2S/c1-14-8-16-10-20(34-23(16)19(9-14)33-3)21-17(11-27-15(2)32)18(12-30-6-4-26-5-7-30)31-22(21)24(25)28-13-29-31/h8-10,13,26H,4-7,11-12H2,1-3H3,(H,27,32)(H2,25,28,29)
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n/an/a 1n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302401
PNG
(US9598416, Example 47)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCC2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H23N5OS/c1-13-7-14-9-17(28-20(14)16(8-13)27-2)18-15(10-25-5-3-4-6-25)11-26-19(18)21(22)23-12-24-26/h7-9,11-12H,3-6,10H2,1-2H3,(H2,22,23,24)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194852
PNG
(US9206184, 33)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCC(N)=O)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H29N7O3S/c1-14-7-15-9-19(35-23(15)18(8-14)33-2)21-16(11-34-12-20(25)32)17(10-30-5-3-27-4-6-30)31-22(21)24(26)28-13-29-31/h7-9,13,27H,3-6,10-12H2,1-2H3,(H2,25,32)(H2,26,28,29)
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n/an/a 1n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302364
PNG
(2-({[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCCO)cn2ncnc(N)c12
Show InChI InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)26-2)16-13(8-21-3-4-25)9-24-17(16)19(20)22-10-23-24/h5-7,9-10,21,25H,3-4,8H2,1-2H3,(H2,20,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194834
PNG
(US9206184, 15)
Show SMILES CCOCc1c(CN2CC[C@](C)(N)C2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1 |r|
Show InChI InChI=1S/C25H32N6O2S/c1-5-33-12-17-18(11-30-7-6-25(3,27)13-30)31-22(24(26)28-14-29-31)21(17)20-10-16-8-15(2)9-19(32-4)23(16)34-20/h8-10,14H,5-7,11-13,27H2,1-4H3,(H2,26,28,29)/t25-/m0/s1
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n/an/a 1n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302420
PNG
(US9598416, Example 66)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CC[C@@H](C2)N(C)C)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C23H28N6OS/c1-14-7-15-9-19(31-22(15)18(8-14)30-4)20-16(10-28-6-5-17(12-28)27(2)3)11-29-21(20)23(24)25-13-26-29/h7-9,11,13,17H,5-6,10,12H2,1-4H3,(H2,24,25,26)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302365
PNG
(4-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O2S/c1-12-5-13-7-16(30-20(13)15(6-12)29-2)18-14(8-26-4-3-23-17(28)10-26)9-27-19(18)21(22)24-11-25-27/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,23,28)(H2,22,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1 [400-80]/Glutathione S-transferase P


(Homo sapiens (Human))
BDBM255620
PNG
(US9475815, 5)
Show SMILES COc1cc(C)cc2cc(sc12)-c1cc(CN2CC[C@](C)(N)C2)n2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H26N6OS/c1-13-6-14-8-18(30-20(14)17(7-13)29-3)16-9-15(10-27-5-4-22(2,24)11-27)28-19(16)21(23)25-12-26-28/h6-9,12H,4-5,10-11,24H2,1-3H3,(H2,23,25,26)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/a7.022



BAYER INTELLETUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant tagged FGFR-1 fusion protein [fusion of glutathione-S-transferase (GST) (N-terminally), His6-tag, thrombin cleavage site, and the intra...


US Patent US9475815 (2016)


BindingDB Entry DOI: 10.7270/Q2862FC7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302418
PNG
(US9598416, Example 64)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCC(CC2)C(N)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O2S/c1-13-7-15-9-18(32-21(15)17(8-13)31-2)19-16(11-29-20(19)22(24)26-12-27-29)10-28-5-3-14(4-6-28)23(25)30/h7-9,11-12,14H,3-6,10H2,1-2H3,(H2,25,30)(H2,24,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194858
PNG
(US9206184, 39)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCCO)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C24H31N7O2S/c1-15-9-16-11-20(34-23(16)19(10-15)33-2)21-17(12-27-5-8-32)18(13-30-6-3-26-4-7-30)31-22(21)24(25)28-14-29-31/h9-11,14,26-27,32H,3-8,12-13H2,1-2H3,(H2,25,28,29)
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n/an/a 1.10n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302400
PNG
(US9598416, Example 46)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN(C)CCC#N)cn2ncnc(N)c12
Show InChI InChI=1S/C21H22N6OS/c1-13-7-14-9-17(29-20(14)16(8-13)28-3)18-15(10-26(2)6-4-5-22)11-27-19(18)21(23)24-12-25-27/h7-9,11-12H,4,6,10H2,1-3H3,(H2,23,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194843
PNG
(US9206184, 24)
Show SMILES CCCOCc1c(CN2CCNCC2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1
Show InChI InChI=1S/C25H32N6O2S/c1-4-9-33-14-18-19(13-30-7-5-27-6-8-30)31-23(25(26)28-15-29-31)22(18)21-12-17-10-16(2)11-20(32-3)24(17)34-21/h10-12,15,27H,4-9,13-14H2,1-3H3,(H2,26,28,29)
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n/an/a 1.30n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194846
PNG
(US9206184, 27)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COC(C)C)c(CN2CCNCC2)n2ncnc(N)c12
Show InChI InChI=1S/C25H32N6O2S/c1-15(2)33-13-18-19(12-30-7-5-27-6-8-30)31-23(25(26)28-14-29-31)22(18)21-11-17-9-16(3)10-20(32-4)24(17)34-21/h9-11,14-15,27H,5-8,12-13H2,1-4H3,(H2,26,28,29)
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n/an/a 1.30n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194899
PNG
(US9206184, 80)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)c(Cl)n2ncnc(N)c12
Show InChI InChI=1S/C21H21ClN6O2S/c1-11-5-12-7-15(31-19(12)14(6-11)30-2)17-13(8-27-4-3-24-16(29)9-27)20(22)28-18(17)21(23)25-10-26-28/h5-7,10H,3-4,8-9H2,1-2H3,(H,24,29)(H2,23,25,26)
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n/an/a 1.30n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM302356
PNG
((2S)-1-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothio...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COC[C@H](C)O)cn2ncnc(N)c12 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-11-4-13-6-16(28-19(13)15(5-11)26-3)17-14(9-27-8-12(2)25)7-24-18(17)20(21)22-10-23-24/h4-7,10,12,25H,8-9H2,1-3H3,(H2,21,22,23)/t12-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...


US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM302372
PNG
(US9598416, Example 18 | rac-1-{[4-Amino-5-(7-metho...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCC(O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O2S/c1-12-5-13-7-17(29-20(13)16(6-12)28-2)18-14(8-25-4-3-15(27)10-25)9-26-19(18)21(22)23-11-24-26/h5-7,9,11,15,27H,3-4,8,10H2,1-2H3,(H2,22,23,24)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM194833
PNG
(US9206184, 14)
Show SMILES COCc1c(CN2CC[C@](C)(N)C2)n2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1 |r|
Show InChI InChI=1S/C24H30N6O2S/c1-14-7-15-9-19(33-22(15)18(8-14)32-4)20-16(11-31-3)17(10-29-6-5-24(2,26)12-29)30-21(20)23(25)27-13-28-30/h7-9,13H,5-6,10-12,26H2,1-4H3,(H2,25,27,28)/t24-/m0/s1
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n/an/a 1.40n/an/an/an/a7.022



BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...


US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
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