BindingDB logo
myBDB logout

BDBM50190051 4-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide::CHEMBL378648

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12

InChI Key: InChIKey=XPUQEVDLHMPVLH-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 = 50190051   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190051
PNG
(4-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-y...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H22Cl2N6O/c1-32-10-12-33(13-11-32)25-21-14-19(27)6-8-23(21)34(24-9-7-20(28)15-22(24)30-25)31-26(35)18-4-2-17(16-29)3-5-18/h2-9,14-15H,10-13H2,1H3,(H,31,35)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190051
PNG
(4-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-y...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H22Cl2N6O/c1-32-10-12-33(13-11-32)25-21-14-19(27)6-8-23(21)34(24-9-7-20(28)15-22(24)30-25)31-26(35)18-4-2-17(16-29)3-5-18/h2-9,14-15H,10-13H2,1H3,(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
194n/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