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BDBM22868 11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine::2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene::Azatadine::CHEMBL946

SMILES: [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12

InChI Key: InChIKey=SEBMTIQKRHYNIT-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 22868   
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
Histamine receptor (H4)


(Homo sapiens (human))
BDBM22868
PNG
(11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-b...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12
Show InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
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Article
PubMed
>1.00E+4>-7.09n/an/an/an/an/a7.437



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM22868
PNG
(11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-b...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12
Show InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
PDB

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Concentration required to cause 50% inhibition of platelet activating factor (PAF)-induced platelet aggregation of human platelet rich plasma when ch...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM22868
PNG
(11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-b...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12
Show InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
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PubMed
3.90n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


Citation and Details
More data for this
Ligand-Target Pair