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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AGTR1' and Ligand = 'BDBM50161277'   
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
AGTR1


(RAT)
BDBM50161277
PNG
(CHEMBL3787050)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H23ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,29H,2-3,8,13-14H2,1H3,(H,26,27,30)
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PC cid
PC sid
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Patents


Similars

PubMed
4.30n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161277
PNG
(CHEMBL3787050)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H23ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,29H,2-3,8,13-14H2,1H3,(H,26,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.90n/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair