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BDBM269852 (1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2R)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1S,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide::US10058550, Example 376.0::US10058550, Example 377.0::US10058550, Example 378.0::US10058550, Example 379.0::US10221162, Example 379.0::US9845310, Example 379.0

SMILES: COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=RBSUQKXPHLKLJX-QRWLVFNGSA-N

Data: 11 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 269852   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...


US Patent US10058550 (2018)


BindingDB Entry DOI: 10.7270/Q26T0PP0
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...


US Patent US10058550 (2018)


BindingDB Entry DOI: 10.7270/Q26T0PP0
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...


US Patent US10058550 (2018)


BindingDB Entry DOI: 10.7270/Q26T0PP0
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si...


US Patent US10058550 (2018)


BindingDB Entry DOI: 10.7270/Q26T0PP0
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...


US Patent US10221162 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JXS
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...


US Patent US9845310 (2017)


BindingDB Entry DOI: 10.7270/Q28P62TV
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...


US Patent US10221162 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JXS
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...


US Patent US10221162 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JXS
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...


US Patent US9845310 (2017)


BindingDB Entry DOI: 10.7270/Q28P62TV
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
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PC cid
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US Patent
n/an/an/an/a 46n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...


US Patent US9845310 (2017)


BindingDB Entry DOI: 10.7270/Q28P62TV
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269852
PNG
((1R,2S)-1-amino-N-(4-(2,6-dimethoxyphenyl)-5-(6-me...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](N)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.84,-11.47,;-7.35,-11.86,;-6.95,-13.35,;-8.04,-14.44,;-7.64,-15.93,;-6.15,-16.33,;-5.06,-15.24,;-5.46,-13.75,;-3.58,-15.64,;-3.1,-17.1,;-1.56,-17.1,;-1.09,-15.64,;.25,-14.87,;1.58,-15.64,;.81,-16.97,;2.35,-16.97,;2.92,-14.87,;2.92,-13.33,;4.25,-15.64,;4.25,-17.18,;5.58,-14.87,;6.92,-15.64,;8.25,-14.87,;8.25,-13.33,;9.58,-12.56,;6.92,-12.56,;5.58,-13.33,;-2.33,-14.73,;-2.33,-13.19,;-3.67,-12.42,;-5,-13.19,;-6.33,-12.42,;-3.67,-10.88,;-2.33,-10.11,;-1,-10.88,;-1,-12.42,;.34,-13.19,;1.67,-12.42,)|
Show InChI InChI=1S/C24H28N8O5S/c1-14-12-26-22(27-13-14)20(25)15(2)38(33,34)31-24-30-29-23(16-8-6-11-19(28-16)37-5)32(24)21-17(35-3)9-7-10-18(21)36-4/h6-13,15,20H,25H2,1-5H3,(H,30,31)/t15-,20+/m1/s1
PDB

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US Patent
n/an/an/an/a 1.20n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...


US Patent US10221162 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JXS
More data for this
Ligand-Target Pair