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BDBM50118529 Butyl-methyl-carbamic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester::CHEMBL134282

SMILES: CCCCN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1

InChI Key: InChIKey=DZTDVSYVBZTGEP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50118529   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50118529
PNG
(Butyl-methyl-carbamic acid 5-phenyl-6-oxa-10b-aza-...)
Show SMILES CCCCN(C)C(=O)OC1=C(Oc2ccccc2-n2cccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C24H24N2O3/c1-3-4-16-25(2)24(27)29-23-20-14-10-17-26(20)19-13-8-9-15-21(19)28-22(23)18-11-6-5-7-12-18/h5-15,17H,3-4,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.920n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%


J Med Chem 45: 4276-81 (2002)


BindingDB Entry DOI: 10.7270/Q20Z72MT
More data for this
Ligand-Target Pair