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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Parathyroid hormone 1 receptor (PTH1R)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM64562
PNG
(US9428505, Compound 7)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C
Show InChI InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 2.40E+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 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM64564
PNG
(US9428505, Compound 8)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CCCC1
Show InChI InChI=1S/C31H34F3N5O6S/c1-19-17-22(39-28(42)36-27(41)30(39)10-3-4-11-30)18-20(2)24(19)9-16-46(43,44)38-14-12-29(13-15-38)26(40)35-25(37-29)21-5-7-23(8-6-21)45-31(32,33)34/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,35,37,40)(H,36,41,42)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.90E+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 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
AffyNet 
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 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM64567
PNG
(US9428505, Compound 11)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CC1
Show InChI InChI=1S/C29H30F3N5O6S/c1-17-15-20(37-26(40)34-25(39)28(37)8-9-28)16-18(2)22(17)7-14-44(41,42)36-12-10-27(11-13-36)24(38)33-23(35-27)19-3-5-21(6-4-19)43-29(30,31)32/h3-6,15-16H,7-14H2,1-2H3,(H,33,35,38)(H,34,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.20E+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 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
AffyNet 
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