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BDBM321270 N-[3-(isoindolin-2-yl)methylamino)propyl]-4-chlorobenzamide::US10179761, Compound 3.1.15

SMILES: Clc1ccc(cc1)C(=O)NCCCNCN1Cc2ccccc2C1

InChI Key: InChIKey=LERQNAUSMXSDPN-UHFFFAOYSA-N

Data: 1 KI

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 = 321270   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM321270
PNG
(N-[3-(isoindolin-2-yl)methylamino)propyl]-4-chloro...)
Show SMILES Clc1ccc(cc1)C(=O)NCCCNCN1Cc2ccccc2C1
Show InChI InChI=1S/C19H22ClN3O/c20-18-8-6-15(7-9-18)19(24)22-11-3-10-21-14-23-12-16-4-1-2-5-17(16)13-23/h1-2,4-9,21H,3,10-14H2,(H,22,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 19n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...

US Patent US10179761 (2019)


BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair