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BDBM50026971 11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrrolo[1,2-a]azepine-9-carbonitrile::CHEMBL178376

SMILES: [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N

InChI Key: InChIKey=HVUHGANPHHJBTO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50026971   
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
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PubMed
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
PDB

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PC cid
PC sid
UniChem

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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
KEGG

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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
1.03E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]- clonidine radioligand binding at the alpha-2 adrenergic receptor binding site of calf cerebral cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair