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BDBM50190203 2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide::CHEMBL378669

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12

InChI Key: InChIKey=GPZGUIZYGOLWTO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50190203   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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53n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D5 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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327n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at adrenergic alpha2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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496n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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496n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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808n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D4 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair