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BDBM107361 US8592431, 241::US8592431, 242

SMILES: CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)C2)c2ncnn12

InChI Key: InChIKey=FTOXBHNSFAJYQD-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 107361   
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
Acetyl-coenzyme A transporter 1 (AT1)


(Homo sapiens (Human))
BDBM107361
PNG
(US8592431, 241 | US8592431, 242)
Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)C2)c2ncnn12
Show InChI InChI=1S/C30H32N6O4/c1-3-4-9-26-25(28(37)35(29-31-18-32-36(26)29)22-14-15-39-19(2)16-22)17-20-10-12-21(13-11-20)23-7-5-6-8-24(23)27-33-30(38)40-34-27/h5-8,10-13,18-19,22H,3-4,9,14-17H2,1-2H3,(H,33,34,38)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...


US Patent US8592431 (2013)


BindingDB Entry DOI: 10.7270/Q2H70DGX
More data for this
Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (AT1)


(Homo sapiens (Human))
BDBM107361
PNG
(US8592431, 241 | US8592431, 242)
Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)C2)c2ncnn12
Show InChI InChI=1S/C30H32N6O4/c1-3-4-9-26-25(28(37)35(29-31-18-32-36(26)29)22-14-15-39-19(2)16-22)17-20-10-12-21(13-11-20)23-7-5-6-8-24(23)27-33-30(38)40-34-27/h5-8,10-13,18-19,22H,3-4,9,14-17H2,1-2H3,(H,33,34,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a7.4n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...


US Patent US8592431 (2013)


BindingDB Entry DOI: 10.7270/Q2H70DGX
More data for this
Ligand-Target Pair