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BDBM332580 (2E)-1-{2-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2,7-diazaspiro[3.5]non-7-yl}-3-(3,4-dichlorophenyl)prop-2-en-1-one::US10196369, Compound C35

SMILES: Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl

InChI Key: InChIKey=YWMLTXBSPOLXIK-FCXRPNKRSA-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 = 332580   
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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332580
PNG
((2E)-1-{2-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl...)
Show SMILES Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C25H22Cl4N2O2/c26-19-5-1-17(13-21(19)28)3-7-23(32)30-11-9-25(10-12-30)15-31(16-25)24(33)8-4-18-2-6-20(27)22(29)14-18/h1-8,13-14H,9-12,15-16H2/b7-3+,8-4+
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair