BindingDB logo
myBDB logout

BDBM42436 2,5-dimethyl-4-(1-piperidinyl)-N-[2-(trifluoromethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide::2,5-dimethyl-4-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide::2,5-dimethyl-4-piperidino-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide::MLS000682659::SMR000312016::cid_4557532

SMILES: Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F

InChI Key: InChIKey=CUQOPNSQEJYQLQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 42436   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42436
PNG
(2,5-dimethyl-4-(1-piperidinyl)-N-[2-(trifluorometh...)
Show SMILES Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4OS/c1-12-16-18(28-10-6-3-7-11-28)25-13(2)26-20(16)30-17(12)19(29)27-15-9-5-4-8-14(15)21(22,23)24/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42436
PNG
(2,5-dimethyl-4-(1-piperidinyl)-N-[2-(trifluorometh...)
Show SMILES Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4OS/c1-12-16-18(28-10-6-3-7-11-28)25-13(2)26-20(16)30-17(12)19(29)27-15-9-5-4-8-14(15)21(22,23)24/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair