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BDBM86990 6-(morpholine-4-carbonyl)-2,2-diphenyl-benzo[1,3]dioxole-5-carbonitrile::CAS_22475161::NSC_22475161

SMILES: O=C(N1CCOCC1)c1cc2OC(Oc2cc1C#N)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OIAQJMNFQCVIEJ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 86990   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86990
PNG
(6-(morpholine-4-carbonyl)-2,2-diphenyl-benzo[1,3]d...)
Show SMILES O=C(N1CCOCC1)c1cc2OC(Oc2cc1C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c26-17-18-15-22-23(16-21(18)24(28)27-11-13-29-14-12-27)31-25(30-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16H,11-14H2
PDB

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Similars

Article
PubMed
277n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
BindingDB Entry DOI: 10.7270/Q26H4G0Z
More data for this
Ligand-Target Pair