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BDBM64566 US9428505, Compound 10

SMILES: Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11COC1

InChI Key: InChIKey=WMHJWHBMOVKVON-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 64566   
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))
BDBM64566
PNG
(US9428505, Compound 10)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11COC1
Show InChI InChI=1S/C29H30F3N5O7S/c1-17-13-20(37-26(40)34-25(39)28(37)15-43-16-28)14-18(2)22(17)7-12-45(41,42)36-10-8-27(9-11-36)24(38)33-23(35-27)19-3-5-21(6-4-19)44-29(30,31)32/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,33,35,38)(H,34,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.20E+4n/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))
BDBM64566
PNG
(US9428505, Compound 10)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11COC1
Show InChI InChI=1S/C29H30F3N5O7S/c1-17-13-20(37-26(40)34-25(39)28(37)15-43-16-28)14-18(2)22(17)7-12-45(41,42)36-10-8-27(9-11-36)24(38)33-23(35-27)19-3-5-21(6-4-19)44-29(30,31)32/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,33,35,38)(H,34,39,40)
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 2.10E+4n/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