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BDBM242148 US9415055, (-)2,3-dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-5-fluoro-benzamide::US9593105, 150

SMILES: Fc1cc(Cl)c(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=LHLUGFCNLGOCSR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 242148   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242148
PNG
(US9415055, (-)2,3-dichloro-N-[2-(4,4-difluoro-1-pi...)
Show SMILES Fc1cc(Cl)c(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C19H16Cl2F6N4O/c20-13-6-11(22)5-12(15(13)21)16(32)28-9-14(31-3-1-18(23,24)2-4-31)10-7-29-17(30-8-10)19(25,26)27/h5-8,14H,1-4,9H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)


BindingDB Entry DOI: 10.7270/Q2NC604C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242148
PNG
(US9415055, (-)2,3-dichloro-N-[2-(4,4-difluoro-1-pi...)
Show SMILES Fc1cc(Cl)c(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C19H16Cl2F6N4O/c20-13-6-11(22)5-12(15(13)21)16(32)28-9-14(31-3-1-18(23,24)2-4-31)10-7-29-17(30-8-10)19(25,26)27/h5-8,14H,1-4,9H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...


US Patent US9593105 (2017)


BindingDB Entry DOI: 10.7270/Q2R49STH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242148
PNG
(US9415055, (-)2,3-dichloro-N-[2-(4,4-difluoro-1-pi...)
Show SMILES Fc1cc(Cl)c(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C19H16Cl2F6N4O/c20-13-6-11(22)5-12(15(13)21)16(32)28-9-14(31-3-1-18(23,24)2-4-31)10-7-29-17(30-8-10)19(25,26)27/h5-8,14H,1-4,9H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...


US Patent US9593105 (2017)


BindingDB Entry DOI: 10.7270/Q2R49STH
More data for this
Ligand-Target Pair