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BDBM497386 US11007200, Example 3a

SMILES: CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl

InChI Key: InChIKey=OKBJBWKATFFGNY-VXKWHMMOSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 497386   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497386
PNG
(US11007200, Example 3a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
18n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497386
PNG
(US11007200, Example 3a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
35.4n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair