BindingDB logo
myBDB logout

BDBM50054126 (E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo-1,2-dihydropyrrolo[3,4-b]quinolin-3-ylidene)-N-methylacetamide::CHEMBL135869::N-(4-Chloro-phenyl)-2-[2-(4-chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3,4-b]quinolin-(3E)-ylidene]-N-methyl-acetamide

SMILES: CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ASUZPWSCVLEOFK-HZHRSRAPSA-N

Data: 8 IC50

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 8 hits for monomerid = 50054126   
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))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 1)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat kidney peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane


Bioorg Med Chem 16: 3428-37 (2008)


Article DOI: 10.1016/j.bmc.2007.06.044
BindingDB Entry DOI: 10.7270/Q21Z458R
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054126
PNG
((E)-N-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-oxo...)
Show SMILES CN(C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H17Cl2N3O2/c1-30(19-10-6-17(27)7-11-19)24(32)15-23-25-21(14-16-4-2-3-5-22(16)29-25)26(33)31(23)20-12-8-18(28)9-13-20/h2-15H,1H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair