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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM359748'   
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
Apelin receptor


(Homo sapiens (Human))
BDBM359748
PNG
((1R,2S)-N-(4-(3-cyanophenyl)-5-(6-methoxy-2-pyridi...)
Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(c1)C#N)c1ncc(C)cn1 |r|
Show InChI InChI=1S/C24H24N8O4S/c1-15-13-26-22(27-14-15)21(36-4)16(2)37(33,34)31-24-30-29-23(19-9-6-10-20(28-19)35-3)32(24)18-8-5-7-17(11-18)12-25/h5-11,13-14,16,21H,1-4H3,(H,30,31)/t16-,21-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 31n/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))
BDBM359748
PNG
((1R,2S)-N-(4-(3-cyanophenyl)-5-(6-methoxy-2-pyridi...)
Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(c1)C#N)c1ncc(C)cn1 |r|
Show InChI InChI=1S/C24H24N8O4S/c1-15-13-26-22(27-14-15)21(36-4)16(2)37(33,34)31-24-30-29-23(19-9-6-10-20(28-19)35-3)32(24)18-8-5-7-17(11-18)12-25/h5-11,13-14,16,21H,1-4H3,(H,30,31)/t16-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 31n/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