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Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with all data for entry = 1002   
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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n/an/a 0.200n/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))
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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n/an/a 0.200n/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))
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 0.300n/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))
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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n/an/a 0.300n/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))
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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n/an/a 0.400n/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))
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 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))
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 0.5n/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))
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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n/an/a 0.600n/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))
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 0.600n/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))
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 0.600n/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))
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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n/an/a 0.600n/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))
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 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 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 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 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 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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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))
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


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))
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


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))
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))
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 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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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))
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


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))
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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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))
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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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 3


(Homo sapiens (Human))
BDBM302409
PNG
(US9598416, Example 55)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2C)cn2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O2S/c1-12-6-14-8-17(31-20(14)16(7-12)30-3)18-15(9-27-5-4-24-22(29)13(27)2)10-28-19(18)21(23)25-11-26-28/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,24,29)(H2,23,25,26)
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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))
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




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))
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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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))
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


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))
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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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))
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


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))
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


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))
BDBM302387
PNG
(4-{[4-Amino-5-(5,7-dimethoxy-1-benzothiophen-2-yl)...)
Show SMILES COc1cc(OC)c2sc(cc2c1)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H22N6O3S/c1-29-14-5-12-6-16(31-20(12)15(7-14)30-2)18-13(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 3


(Homo sapiens (Human))
BDBM302371
PNG
(1-({[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(C)(C)O)cn2ncnc(N)c12
Show InChI InChI=1S/C21H25N5O2S/c1-12-5-13-7-16(29-19(13)15(6-12)28-4)17-14(8-23-10-21(2,3)27)9-26-18(17)20(22)24-11-25-26/h5-7,9,11,23,27H,8,10H2,1-4H3,(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))
BDBM302357
PNG
((2S)-2-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothio...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CO[C@@H](C)CO)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(9-27-12(2)8-25)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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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))
BDBM302371
PNG
(1-({[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(C)(C)O)cn2ncnc(N)c12
Show InChI InChI=1S/C21H25N5O2S/c1-12-5-13-7-16(29-19(13)15(6-12)28-4)17-14(8-23-10-21(2,3)27)9-26-18(17)20(22)24-11-25-26/h5-7,9,11,23,27H,8,10H2,1-4H3,(H2,22,24,25)
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n/an/a 2n/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))
BDBM302380
PNG
(US9598416, Example 26 | rac-1-({[4-Amino-5-(7-meth...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(C)O)cn2ncnc(N)c12
Show InChI InChI=1S/C20H23N5O2S/c1-11-4-13-6-16(28-19(13)15(5-11)27-3)17-14(8-22-7-12(2)26)9-25-18(17)20(21)23-10-24-25/h4-6,9-10,12,22,26H,7-8H2,1-3H3,(H2,21,23,24)
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n/an/a 2n/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))
BDBM302380
PNG
(US9598416, Example 26 | rac-1-({[4-Amino-5-(7-meth...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(C)O)cn2ncnc(N)c12
Show InChI InChI=1S/C20H23N5O2S/c1-11-4-13-6-16(28-19(13)15(5-11)27-3)17-14(8-22-7-12(2)26)9-25-18(17)20(21)23-10-24-25/h4-6,9-10,12,22,26H,7-8H2,1-3H3,(H2,21,23,24)
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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 3


(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 2.20n/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))
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


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))
BDBM302370
PNG
(N2-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNCC(N)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C19H20N6O2S/c1-10-3-11-5-14(28-18(11)13(4-10)27-2)16-12(6-22-7-15(20)26)8-25-17(16)19(21)23-9-24-25/h3-5,8-9,22H,6-7H2,1-2H3,(H2,20,26)(H2,21,23,24)
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n/an/a 2.30n/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))
BDBM302427
PNG
(US9598416, Example 73)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC2CCOC2)cn2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O2S/c1-12-5-13-7-17(29-20(13)16(6-12)27-2)18-14(8-23-15-3-4-28-10-15)9-26-19(18)21(22)24-11-25-26/h5-7,9,11,15,23H,3-4,8,10H2,1-2H3,(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))
BDBM302408
PNG
(US9598416, Example 54)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCCOCC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H25N5O2S/c1-14-8-15-10-18(30-21(15)17(9-14)28-2)19-16(11-26-4-3-6-29-7-5-26)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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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))
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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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))
BDBM302425
PNG
(US9598416, Example 71)
Show SMILES COC(C)CCN(C)Cc1cn2ncnc(N)c2c1-c1cc2cc(C)cc(OC)c2s1
Show InChI InChI=1S/C23H29N5O2S/c1-14-8-16-10-19(31-22(16)18(9-14)30-5)20-17(11-27(3)7-6-15(2)29-4)12-28-21(20)23(24)25-13-26-28/h8-10,12-13,15H,6-7,11H2,1-5H3,(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))
BDBM302416
PNG
(US9598416, Example 62)
Show SMILES COC1CCCN(Cc2cn3ncnc(N)c3c2-c2cc3cc(C)cc(OC)c3s2)C1
Show InChI InChI=1S/C23H27N5O2S/c1-14-7-15-9-19(31-22(15)18(8-14)30-3)20-16(10-27-6-4-5-17(12-27)29-2)11-28-21(20)23(24)25-13-26-28/h7-9,11,13,17H,4-6,10,12H2,1-3H3,(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
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