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BDBM50190047 CHEMBL213472::benzo[1,3]dioxole-5-carboxylic acid [2-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide

SMILES: CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12

InChI Key: InChIKey=PWZNZURJFBVUCP-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190047   
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))
BDBM50190047
PNG
(CHEMBL213472 | benzo[1,3]dioxole-5-carboxylic acid...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H24ClN5O3/c1-30-10-12-31(13-11-30)25-19-15-18(27)7-8-21(19)32(22-5-3-2-4-20(22)28-25)29-26(33)17-6-9-23-24(14-17)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
83n/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))
BDBM50190047
PNG
(CHEMBL213472 | benzo[1,3]dioxole-5-carboxylic acid...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H24ClN5O3/c1-30-10-12-31(13-11-30)25-19-15-18(27)7-8-21(19)32(22-5-3-2-4-20(22)28-25)29-26(33)17-6-9-23-24(14-17)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.26E+3n/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