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BDBM269513 N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl)-4H-1,2,4-triazol-3-yl)ethanesulfonamide::US10058550, Example 30.0::US10221162, Example 30.0::US9845310, Example 30.0

SMILES: CCS(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=IUUYUFDAYVFHLL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 269513   
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))
BDBM269513
PNG
(N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl...)
Show SMILES CCS(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC |(5.82,.28,;5.82,-1.26,;4.49,-2.03,;3.72,-3.36,;5.26,-3.36,;3.16,-1.26,;1.82,-2.03,;1.35,-3.49,;-.19,-3.49,;-.67,-2.03,;-2.16,-1.63,;-2.56,-.14,;-4.04,.25,;-5.13,-.83,;-4.73,-2.32,;-5.82,-3.41,;-3.25,-2.72,;.58,-1.13,;.58,.41,;1.91,1.18,;3.24,.41,;4.58,1.18,;1.91,2.72,;.58,3.49,;-.76,2.72,;-.76,1.18,;-2.09,.41,;-3.43,1.18,)|
Show InChI InChI=1S/C18H21N5O4S/c1-5-28(24,25)22-18-21-20-17(13-9-6-8-12(2)19-13)23(18)16-14(26-3)10-7-11-15(16)27-4/h6-11H,5H2,1-4H3,(H,21,22)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 830n/an/a7.5n/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 US10058550 (2018)


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


(Homo sapiens (Human))
BDBM269513
PNG
(N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl...)
Show SMILES CCS(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC |(5.82,.28,;5.82,-1.26,;4.49,-2.03,;3.72,-3.36,;5.26,-3.36,;3.16,-1.26,;1.82,-2.03,;1.35,-3.49,;-.19,-3.49,;-.67,-2.03,;-2.16,-1.63,;-2.56,-.14,;-4.04,.25,;-5.13,-.83,;-4.73,-2.32,;-5.82,-3.41,;-3.25,-2.72,;.58,-1.13,;.58,.41,;1.91,1.18,;3.24,.41,;4.58,1.18,;1.91,2.72,;.58,3.49,;-.76,2.72,;-.76,1.18,;-2.09,.41,;-3.43,1.18,)|
Show InChI InChI=1S/C18H21N5O4S/c1-5-28(24,25)22-18-21-20-17(13-9-6-8-12(2)19-13)23(18)16-14(26-3)10-7-11-15(16)27-4/h6-11H,5H2,1-4H3,(H,21,22)
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US Patent
n/an/an/an/a 830n/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))
BDBM269513
PNG
(N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl...)
Show SMILES CCS(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC |(5.82,.28,;5.82,-1.26,;4.49,-2.03,;3.72,-3.36,;5.26,-3.36,;3.16,-1.26,;1.82,-2.03,;1.35,-3.49,;-.19,-3.49,;-.67,-2.03,;-2.16,-1.63,;-2.56,-.14,;-4.04,.25,;-5.13,-.83,;-4.73,-2.32,;-5.82,-3.41,;-3.25,-2.72,;.58,-1.13,;.58,.41,;1.91,1.18,;3.24,.41,;4.58,1.18,;1.91,2.72,;.58,3.49,;-.76,2.72,;-.76,1.18,;-2.09,.41,;-3.43,1.18,)|
Show InChI InChI=1S/C18H21N5O4S/c1-5-28(24,25)22-18-21-20-17(13-9-6-8-12(2)19-13)23(18)16-14(26-3)10-7-11-15(16)27-4/h6-11H,5H2,1-4H3,(H,21,22)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 830n/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