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BDBM332576 (2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-(1H-1,2,3,4-tetraazol-5-yl)phenyl)carbonyl]-2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one::US10196369, Compound C31

SMILES: Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc(cc2)-c2nnn[nH]2)cc1Cl

InChI Key: InChIKey=BWZKWUXLELULID-KRXBUXKQSA-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 = 332576   
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))
BDBM332576
PNG
((2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-(1H-1,2,3,4-t...)
Show SMILES Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc(cc2)-c2nnn[nH]2)cc1Cl
Show InChI InChI=1S/C24H22Cl2N6O2/c25-19-7-1-16(13-20(19)26)2-8-21(33)32-14-24(15-32)9-11-31(12-10-24)23(34)18-5-3-17(4-6-18)22-27-29-30-28-22/h1-8,13H,9-12,14-15H2,(H,27,28,29,30)/b8-2+
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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)

More data for this
Ligand-Target Pair