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BDBM269940 (1R,2S)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide and (1S,2R)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide and (1R,2R)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide::US10058550, Example 473.0::US10221162, Example 473.0::US9845310, Example 473.0

SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Br)cc2Br)cc1

InChI Key: InChIKey=ZQRYODDLDACGDH-UCWJVNGGNA-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 = 269940   
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))
BDBM269940
PNG
((1R,2S)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyp...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Br)cc2Br)cc1
Show InChI InChI=1/C25H27Br2NO5S/c1-17(25(29)23-13-8-20(26)14-24(23)27)34(30,31)28(15-18-4-9-21(32-2)10-5-18)16-19-6-11-22(33-3)12-7-19/h4-14,17,25,29H,15-16H2,1-3H3/t17-,25-/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 0.230n/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)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q26T0PP0
More data for this
Ligand-Target Pair
Apelin receptor (APJ)


(Homo sapiens (Human))
BDBM269940
PNG
((1R,2S)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyp...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Br)cc2Br)cc1
Show InChI InChI=1/C25H27Br2NO5S/c1-17(25(29)23-13-8-20(26)14-24(23)27)34(30,31)28(15-18-4-9-21(32-2)10-5-18)16-19-6-11-22(33-3)12-7-19/h4-14,17,25,29H,15-16H2,1-3H3/t17-,25-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.230n/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)

More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM269940
PNG
((1R,2S)-1-(2,4-dicyanophenyl)-N-(4-(2,6-dimethoxyp...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](C)[C@@H](O)c2ccc(Br)cc2Br)cc1
Show InChI InChI=1/C25H27Br2NO5S/c1-17(25(29)23-13-8-20(26)14-24(23)27)34(30,31)28(15-18-4-9-21(32-2)10-5-18)16-19-6-11-22(33-3)12-7-19/h4-14,17,25,29H,15-16H2,1-3H3/t17-,25-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 0.230n/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)


Article DOI: 10.1021/jm051187d
More data for this
Ligand-Target Pair