new BindingDB logo
myBDB logout

BDBM50190099 8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine::CHEMBL215669

SMILES: FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c1

InChI Key: InChIKey=YUCDETMUXOUYBI-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 = 50190099   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190099
PNG
(8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperaz...)
Show SMILES FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c1 |t:18|
Show InChI InChI=1S/C25H22ClF3N4O/c26-18-8-9-22-23(15-18)31-24(20-6-1-2-7-21(20)30-22)33-12-10-32(11-13-33)16-17-4-3-5-19(14-17)34-25(27,28)29/h1-9,14-15,30H,10-13,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190099
PNG
(8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperaz...)
Show SMILES FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c1 |t:18|
Show InChI InChI=1S/C25H22ClF3N4O/c26-18-8-9-22-23(15-18)31-24(20-6-1-2-7-21(20)30-22)33-12-10-32(11-13-33)16-17-4-3-5-19(14-17)34-25(27,28)29/h1-9,14-15,30H,10-13,16H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair