BindingDB logo
myBDB logout

BDBM107433 US8592431, 348

SMILES: CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OC(CC)C(C)(C)O)c2ncnn12

InChI Key: InChIKey=LLFMGULRPUCCHS-BIBMFLLGNA-N

Data: 1 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 1 hit for monomerid = 107433   
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))
BDBM107433
PNG
(US8592431, 348)
Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OC(CC)C(C)(C)O)c2ncnn12
Show InChI InChI=1/C35H42N6O5/c1-5-9-29-28(20-22-12-14-23(15-13-22)26-10-7-8-11-27(26)31-38-34(43)46-39-31)32(42)40(33-36-21-37-41(29)33)24-16-18-25(19-17-24)45-30(6-2)35(3,4)44/h7-8,10-15,21,24-25,30,44H,5-6,9,16-20H2,1-4H3,(H,38,39,43)/t24-,25-,30?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.4n/a



Takeda Pharmaceutical Co., Ltd

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