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Patent code US9226923

Compile Data Set for Download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [C1156Y]


(Homo sapiens (Human))		BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a<1.20n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor [C1156Y]


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM199947
PNG
(US9226923, 5)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCCNC2)c1c(Cl)ccc(F)c1Cl |r,wU:1.0,(-5.5,-2.14,;-4.09,-2.77,;-2.84,-1.86,;-3,-.33,;-1.76,.57,;-1.92,2.11,;-3.33,2.73,;-4.57,1.83,;-4.41,.3,;-5.66,-.61,;-.67,3.01,;-.67,4.55,;.79,5.03,;1.7,3.78,;.79,2.54,;3.24,3.78,;4.32,4.87,;5.41,3.78,;4.32,2.69,;6.18,5.11,;7.72,5.11,;8.49,3.78,;7.72,2.45,;6.18,2.45,;-3.93,-4.3,;-2.52,-4.93,;-1.28,-4.02,;-2.36,-6.46,;-3.61,-7.36,;-5.01,-6.74,;-6.26,-7.64,;-5.17,-5.2,;-6.58,-4.58,)|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)3-4-19(27)22(21)26)33-20-7-15(10-30-23(20)28)16-11-31-32(12-16)17-8-24(9-17)5-2-6-29-13-24/h3-4,7,10-12,14,17,29H,2,5-6,8-9,13H2,1H3,(H2,28,30)/t14-,17?,24?/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM199947
PNG
(US9226923, 5)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCCNC2)c1c(Cl)ccc(F)c1Cl |r,wU:1.0,(-5.5,-2.14,;-4.09,-2.77,;-2.84,-1.86,;-3,-.33,;-1.76,.57,;-1.92,2.11,;-3.33,2.73,;-4.57,1.83,;-4.41,.3,;-5.66,-.61,;-.67,3.01,;-.67,4.55,;.79,5.03,;1.7,3.78,;.79,2.54,;3.24,3.78,;4.32,4.87,;5.41,3.78,;4.32,2.69,;6.18,5.11,;7.72,5.11,;8.49,3.78,;7.72,2.45,;6.18,2.45,;-3.93,-4.3,;-2.52,-4.93,;-1.28,-4.02,;-2.36,-6.46,;-3.61,-7.36,;-5.01,-6.74,;-6.26,-7.64,;-5.17,-5.2,;-6.58,-4.58,)|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)3-4-19(27)22(21)26)33-20-7-15(10-30-23(20)28)16-11-31-32(12-16)17-8-24(9-17)5-2-6-29-13-24/h3-4,7,10-12,14,17,29H,2,5-6,8-9,13H2,1H3,(H2,28,30)/t14-,17?,24?/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM199944
PNG
(US9226923, 2)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(CNC2)C1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O/c1-12(19-16(23)2-3-17(25)20(19)24)31-18-4-13(7-28-21(18)26)14-8-29-30(9-14)15-5-22(6-15)10-27-11-22/h2-4,7-9,12,15,27H,5-6,10-11H2,1H3,(H2,26,28)/t12-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor


(Homo sapiens (Human))		BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase receptor


(Homo sapiens (Human))		BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM199946
PNG
(US9226923, 4)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCC2(CNC2)CC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(9-30-23(20)28)16-10-31-32(11-16)17-4-6-24(7-5-17)12-29-13-24/h2-3,8-11,14,17,29H,4-7,12-13H2,1H3,(H2,28,30)/t14-/m1/s1
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Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM199946
PNG
(US9226923, 4)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCC2(CNC2)CC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(9-30-23(20)28)16-10-31-32(11-16)17-4-6-24(7-5-17)12-29-13-24/h2-3,8-11,14,17,29H,4-7,12-13H2,1H3,(H2,28,30)/t14-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM199944
PNG
(US9226923, 2)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(CNC2)C1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O/c1-12(19-16(23)2-3-17(25)20(19)24)31-18-4-13(7-28-21(18)26)14-8-29-30(9-14)15-5-22(6-15)10-27-11-22/h2-4,7-9,12,15,27H,5-6,10-11H2,1H3,(H2,26,28)/t12-/m1/s1
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n/an/a 6.32n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...

US Patent US9226923 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%