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BDBM50359961 CHEMBL1927095

InChI string: InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1

InChI Key: InChIKey=OXXWZHKBQVSZRB-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50359961   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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Article
PubMed
0.000778n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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PubMed
1.31n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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1.81n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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83.7n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D1


(RAT)
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
UniProtKB/SwissProt

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PC sid
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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PubMed
n/an/a 0.00105n/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair