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BDBM50190056 CHEMBL213239::N-[2-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-3-methoxy-benzamide

SMILES: COc1cccc(c1)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12

InChI Key: InChIKey=CHIWZHUPHKIHAQ-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190056   
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))
BDBM50190056
PNG
(CHEMBL213239 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-12-14-31(15-13-30)25-21-17-19(27)10-11-23(21)32(24-9-4-3-8-22(24)28-25)29-26(33)18-6-5-7-20(16-18)34-2/h3-11,16-17H,12-15H2,1-2H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/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))
BDBM50190056
PNG
(CHEMBL213239 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-12-14-31(15-13-30)25-21-17-19(27)10-11-23(21)32(24-9-4-3-8-22(24)28-25)29-26(33)18-6-5-7-20(16-18)34-2/h3-11,16-17H,12-15H2,1-2H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38E+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