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BDBM50059756 3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-methoxy-phenyl)-methyl-amide::CHEMBL14956

SMILES: COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1

InChI Key: InChIKey=LKACAMBEOCRVBY-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50059756   
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))
BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.


J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Universit£ degli Studi Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortex


J Med Chem 44: 1134-50 (2001)


Article DOI: 10.1021/jm0009742
BindingDB Entry DOI: 10.7270/Q2G161KM
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex


J Med Chem 40: 2910-21 (1997)


Article DOI: 10.1021/jm960516m
BindingDB Entry DOI: 10.7270/Q2KW5GQZ
More data for this
Ligand-Target Pair