BindingDB logo
myBDB logout

BDBM31015 1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-pyrazolone::1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrazol-3-one::1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-3-pyrazolin-3-one::MLS000057668::SMR000067764::cid_2523521

SMILES: Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=TWCSZWPHPHTDJV-UHFFFAOYSA-N

Data: 3 EC50

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 = 31015   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31015
PNG
(1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H25F3N4O/c1-17-21(22(31)30(27(17)2)19-8-4-3-5-9-19)16-28-11-13-29(14-12-28)20-10-6-7-18(15-20)23(24,25)26/h3-10,15H,11-14,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31015
PNG
(1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H25F3N4O/c1-17-21(22(31)30(27(17)2)19-8-4-3-5-9-19)16-28-11-13-29(14-12-28)20-10-6-7-18(15-20)23(24,25)26/h3-10,15H,11-14,16H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31015
PNG
(1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H25F3N4O/c1-17-21(22(31)30(27(17)2)19-8-4-3-5-9-19)16-28-11-13-29(14-12-28)20-10-6-7-18(15-20)23(24,25)26/h3-10,15H,11-14,16H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.84E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair