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BDBM50159086 8-(2-Chloro-phenyl)-isoquinoline-3-carboxylic acid sec-butyl-methyl-amide::CHEMBL360798

SMILES: CCC(C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1

InChI Key: InChIKey=GXIFSPGRAJNGQG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50159086   
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))
BDBM50159086
PNG
(8-(2-Chloro-phenyl)-isoquinoline-3-carboxylic acid...)
Show SMILES CCC(C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)20-12-15-8-7-10-16(18(15)13-23-20)17-9-5-6-11-19(17)22/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat ovary


J Med Chem 48: 292-305 (2005)


Article DOI: 10.1021/jm049610q
BindingDB Entry DOI: 10.7270/Q2RR1XQ0
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50159086
PNG
(8-(2-Chloro-phenyl)-isoquinoline-3-carboxylic acid...)
Show SMILES CCC(C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)20-12-15-8-7-10-16(18(15)13-23-20)17-9-5-6-11-19(17)22/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.27n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat cerebral cortex


J Med Chem 48: 292-305 (2005)


Article DOI: 10.1021/jm049610q
BindingDB Entry DOI: 10.7270/Q2RR1XQ0
More data for this
Ligand-Target Pair