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BDBM64569 US9428505, Comparative: Example 1

SMILES: Cc1cc(ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O

InChI Key: InChIKey=REOKUYXIRRUCMN-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 64569   
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
Parathyroid hormone 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM64569
PNG
(US9428505, Comparative: Example 1)
Show SMILES Cc1cc(ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O
Show InChI InChI=1S/C26H26F3N5O6S/c1-16-13-19(34-21(35)15-30-24(34)37)6-5-17(16)7-12-41(38,39)33-10-8-25(9-11-33)23(36)31-22(32-25)18-3-2-4-20(14-18)40-26(27,28)29/h2-6,13-14H,7-12,15H2,1H3,(H,30,37)(H,31,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 2.30E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Instead of HKRK-B7 cells, LLC-PK46_RATO_PTH1R cells overexpressing rat PTH1R, which were established at Chugai Pharmaceutical, were used to take meas...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Parathyroid hormone (PTH)


(Homo sapiens (Human))
BDBM64569
PNG
(US9428505, Comparative: Example 1)
Show SMILES Cc1cc(ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O
Show InChI InChI=1S/C26H26F3N5O6S/c1-16-13-19(34-21(35)15-30-24(34)37)6-5-17(16)7-12-41(38,39)33-10-8-25(9-11-33)23(36)31-22(32-25)18-3-2-4-20(14-18)40-26(27,28)29/h2-6,13-14H,7-12,15H2,1H3,(H,30,37)(H,31,32,36)
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 4.80E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair