BindingDB logo
myBDB logout

Patent code US9346822

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM230879
PNG
(US9346822, 41)
Show SMILES CCOCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O5S/c1-4-45-17-16-38(2)18-23-27-29(41)40(26-10-5-6-15-35-26)32(43)39(19-22-24(33)8-7-9-25(22)34)30(27)46-28(23)20-11-13-21(14-12-20)36-31(42)37-44-3/h5-15H,4,16-19H2,1-3H3,(H2,36,37,42)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...

US Patent US9346822 (2016)


BindingDB Entry DOI: 10.7270/Q2251H2F
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50347988
PNG
(CHEMBL1800152 | US9346822, 40)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...

US Patent US9346822 (2016)


BindingDB Entry DOI: 10.7270/Q2251H2F
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Macaca fascicularis (Crab-eating macaque) (Cynomol...)		BDBM230879
PNG
(US9346822, 41)
Show SMILES CCOCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C32H32F2N6O5S/c1-4-45-17-16-38(2)18-23-27-29(41)40(26-10-5-6-15-35-26)32(43)39(19-22-24(33)8-7-9-25(22)34)30(27)46-28(23)20-11-13-21(14-12-20)36-31(42)37-44-3/h5-15H,4,16-19H2,1-3H3,(H2,36,37,42)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...

US Patent US9346822 (2016)


BindingDB Entry DOI: 10.7270/Q2251H2F
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Macaca fascicularis (Crab-eating macaque) (Cynomol...)		BDBM50347988
PNG
(CHEMBL1800152 | US9346822, 40)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
US Patent
n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...

US Patent US9346822 (2016)


BindingDB Entry DOI: 10.7270/Q2251H2F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%