new BindingDB logo
myBDB logout

BDBM50190192 2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-6-trifluoromethyl-benzamide::CHEMBL377756

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2C(F)(F)F)c2ccccc12

InChI Key: InChIKey=PSULVKVPLZZSRC-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 = 50190192   
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))
BDBM50190192
PNG
(2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H24ClF3N6O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(28,29)30)6-4-7-19(23)31/h2-10,15H,11-14,31H2,1H3,(H,33,37)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190192
PNG
(2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H24ClF3N6O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(28,29)30)6-4-7-19(23)31/h2-10,15H,11-14,31H2,1H3,(H,33,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
92n/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