BindingDB logo
myBDB logout

Patent code US9572792

Compile Data Set for Download or QSAR
Found 5 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
TBD


(Homo sapiens (Human))
BDBM290124
PNG
(N-{4-[(ethylsulfonyl)amino]-2-methylphenyl}-7-meth...)
Show SMILES CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(cc3C)S(N)(=O)=O)c(=O)oc12
Show InChI InChI=1S/C21H22N2O6S/c1-4-5-15-18(28-3)9-6-13-11-16(21(25)29-19(13)15)20(24)23-17-8-7-14(10-12(17)2)30(22,26)27/h6-11H,4-5H2,1-3H3,(H,23,24)(H2,22,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14.3n/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
The S1P1 activity of the compounds according to the invention, were tested using the GTP γ35S binding assay. The compounds were assessed for the...


US Patent US9572792 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM290123
PNG
(N-[4-(aminosulfonyl)-2-bromophenyl]-7-methoxy-2-ox...)
Show SMILES CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(cc3Br)S(N)(=O)=O)c(=O)oc12
Show InChI InChI=1S/C20H19BrN2O6S/c1-3-4-13-17(28-2)8-5-11-9-14(20(25)29-18(11)13)19(24)23-16-7-6-12(10-15(16)21)30(22,26)27/h5-10H,3-4H2,1-2H3,(H,23,24)(H2,22,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.5n/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
The S1P1 activity of the compounds according to the invention, were tested using the GTP γ35S binding assay. The compounds were assessed for the...


US Patent US9572792 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM290121
PNG
(N-(2-bromophenyl)-7-methoxy-2-oxo-8-propyl-2H-chro...)
Show SMILES CCCc1c(OC)ccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12
Show InChI InChI=1S/C20H18BrNO4/c1-3-6-13-17(25-2)10-9-12-11-14(20(24)26-18(12)13)19(23)22-16-8-5-4-7-15(16)21/h4-5,7-11H,3,6H2,1-2H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 26.4n/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
The S1P1 activity of the compounds according to the invention, were tested using the GTP γ35S binding assay. The compounds were assessed for the...


US Patent US9572792 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM290032
PNG
(N-(3-bromopyridin-4-yl)-7-methoxy-2-oxo-8-propyl-2...)
Show SMILES CCCc1c(OC)ccc2cc(C(=O)Nc3cccnc3CC)c(=O)oc12
Show InChI InChI=1S/C21H22N2O4/c1-4-7-14-18(26-3)10-9-13-12-15(21(25)27-19(13)14)20(24)23-17-8-6-11-22-16(17)5-2/h6,8-12H,4-5,7H2,1-3H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19n/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
The S1P1 activity of the compounds according to the invention, were tested using the GTP γ35S binding assay. The compounds were assessed for the...


US Patent US9572792 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM290122
PNG
((4R)-4-amino-5-[(4-{[(7-methoxy-2-oxo-8-propyl-2H-...)
Show SMILES CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(NC(=O)[C@H](N)CCC(O)=O)cc3C)c(=O)oc12
Show InChI InChI=1S/C26H29N3O7/c1-4-5-17-21(35-3)10-6-15-13-18(26(34)36-23(15)17)24(32)29-20-9-7-16(12-14(20)2)28-25(33)19(27)8-11-22(30)31/h6-7,9-10,12-13,19H,4-5,8,11,27H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.10n/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
The S1P1 activity of the compounds according to the invention, were tested using the GTP γ35S binding assay. The compounds were assessed for the...


US Patent US9572792 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%