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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM310554'   
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))
BDBM310554
PNG
(US10150760, Example 380.0 | US10150760, Example 38...)
Show SMILES COCC(COC)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ccc(Cl)cn2)nnc1[C@H]1CC[C@@H](C)O1 |r|
Show InChI InChI=1S/C21H32ClN5O6S/c1-13-6-9-18(33-13)20-24-25-21(27(20)16(11-30-3)12-31-4)26-34(28,29)14(2)19(32-5)17-8-7-15(22)10-23-17/h7-8,10,13-14,16,18-19H,6,9,11-12H2,1-5H3,(H,25,26)/t13-,14+,18-,19+/m1/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 2.10n/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 US10150760 (2018)


BindingDB Entry DOI: 10.7270/Q2MS3VVT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM310554
PNG
(US10150760, Example 380.0 | US10150760, Example 38...)
Show SMILES COCC(COC)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ccc(Cl)cn2)nnc1[C@H]1CC[C@@H](C)O1 |r|
Show InChI InChI=1S/C21H32ClN5O6S/c1-13-6-9-18(33-13)20-24-25-21(27(20)16(11-30-3)12-31-4)26-34(28,29)14(2)19(32-5)17-8-7-15(22)10-23-17/h7-8,10,13-14,16,18-19H,6,9,11-12H2,1-5H3,(H,25,26)/t13-,14+,18-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60n/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 US10150760 (2018)


BindingDB Entry DOI: 10.7270/Q2MS3VVT
More data for this
Ligand-Target Pair