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Patent code US9469627

Compile Data Set for Download or QSAR
Found 3 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
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM250507
PNG
(US9469627, 2)
Show SMILES C[C@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM250506
PNG
(US9469627, 1)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccn2)c1
Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-7-5-6-14(10-15)11-26-20(29)16-12-24-19(25-13-16)17-8-3-4-9-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM250508
PNG
(US9469627, 3)
Show SMILES C[C@@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


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