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BDBM50015710 4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline::4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline(desmethyl-CGS-12066B)::CHEMBL28178

SMILES: FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21

InChI Key: InChIKey=BLPNNGLJLMTUHN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50015710   
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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]-mesulergine as the radiol...


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
PDB

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair