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Patent code US10344034

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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405268
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F3N7O4/c1-34-29(42)35-17-11-13-18(14-12-17)40-23(16-37(2)3)25-27(36-40)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,35,42)
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n/an/a 0.110n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone receptor (GNRHR)


(Oryctolagus cuniculus (Rabbit))
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
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n/an/a 0.240n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit G...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone receptor (GNRHR)


(Oryctolagus cuniculus (Rabbit))
BDBM405271
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)
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n/an/a 0.270n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit G...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
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n/an/a 0.420n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405278
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H29F3N6O5/c1-37(2)15-21-20(18-11-13-19(14-12-18)35-30(42)36-45-4)16-38-28(21)29(41)40(25-9-6-10-26(44-3)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405270
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O5/c1-40(2)16-23-25-27(38-43(23)18-13-11-17(12-14-18)37-29(45)39-48-4)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,39,45)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone receptor (GNRHR)


(Oryctolagus cuniculus (Rabbit))
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
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n/an/a 0.570n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit G...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405271
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405268
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F3N7O4/c1-34-29(42)35-17-11-13-18(14-12-17)40-23(16-37(2)3)25-27(36-40)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,35,42)
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n/an/a 0.660n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405273
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H29F2N9O4/c1-5-32-28(42)33-17-9-11-18(12-10-17)40-22(16-37(2)3)25-26(36-40)38(15-19-20(30)7-6-8-21(19)31)29(43)39(27(25)41)23-13-14-24(44-4)35-34-23/h6-14H,5,15-16H2,1-4H3,(H2,32,33,42)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405267
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C31H30F3N7O4/c1-5-35-30(43)36-18-12-14-19(15-13-18)41-24(17-38(2)3)26-28(37-41)39(16-20-21(32)8-6-9-22(20)33)31(44)40(29(26)42)23-10-7-11-25(45-4)27(23)34/h6-15H,5,16-17H2,1-4H3,(H2,35,36,43)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405276
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C32H31F3N6O4/c1-5-36-31(43)37-20-14-12-19(13-15-20)21-17-39-29(22(21)16-38(2)3)30(42)41(26-10-7-11-27(45-4)28(26)35)32(44)40(39)18-23-24(33)8-6-9-25(23)34/h6-15,17H,5,16,18H2,1-4H3,(H2,36,37,43)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405269
PNG
(1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C32H30F5N7O4/c1-5-38-30(46)39-18-12-14-19(15-13-18)44-24(17-41(2)3)26-28(40-44)42(16-20-21(32(35,36)37)8-6-9-22(20)33)31(47)43(29(26)45)23-10-7-11-25(48-4)27(23)34/h6-15H,5,16-17H2,1-4H3,(H2,38,39,46)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405266
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C30H28F3N7O5/c1-37(2)16-23-25-27(35-40(23)18-13-11-17(12-14-18)34-29(42)36-45-4)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,36,42)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405275
PNG
(1-(4-(3-((dimethylamino)methyl)-7-(2-fluoro-6-(tri...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H27F4N9O4/c1-34-27(44)35-16-8-10-17(11-9-16)42-21(15-39(2)3)24-25(38-42)40(14-18-19(29(31,32)33)6-5-7-20(18)30)28(45)41(26(24)43)22-12-13-23(46-4)37-36-22/h5-13H,14-15H2,1-4H3,(H2,34,35,44)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405279
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C29H28F2N8O4/c1-32-28(41)33-18-10-8-17(9-11-18)19-15-37-26(20(19)14-36(2)3)27(40)39(24-12-13-25(43-4)35-34-24)29(42)38(37)16-21-22(30)6-5-7-23(21)31/h5-13,15H,14,16H2,1-4H3,(H2,32,33,41)
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Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
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n/an/a 4.95n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone receptor (GNRHR)


(Macaca fascicularis (Crab-eating macaque) (Cynomol...)
BDBM405272
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23.2n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Monkey: This assay was used to determine the inhibition effect of the present compounds on the activity of monkey GnRHr protein expressed by monkey G...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone receptor (GNRHR)


(Macaca fascicularis (Crab-eating macaque) (Cynomol...)
BDBM405274
PNG
(1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...)
Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C
Show InChI InChI=1S/C28H27F2N9O5/c1-36(2)15-21-24-25(34-39(21)17-10-8-16(9-11-17)31-27(41)35-44-4)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-3)33-32-22/h5-13H,14-15H2,1-4H3,(H2,31,35,41)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 78.6n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

US Patent


Assay Description
Monkey: This assay was used to determine the inhibition effect of the present compounds on the activity of monkey GnRHr protein expressed by monkey G...


US Patent US10344034 (2019)


BindingDB Entry DOI: 10.7270/Q29Z978Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%