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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM373234'   
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM373234
PNG
(US9896452, Ex. A149 | US9896452, Example 97 | rac-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1/C22H24F3N7O/c1-14-5-6-18(32-29-7-8-30-32)17(10-14)20(33)31-9-3-4-15(2)19(31)13-28-21-26-11-16(12-27-21)22(23,24)25/h5-8,10-12,15,19H,3-4,9,13H2,1-2H3,(H,26,27,28)/t15-,19-/s2
PDB

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UniProtKB/SwissProt

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



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM373234
PNG
(US9896452, Ex. A149 | US9896452, Example 97 | rac-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1/C22H24F3N7O/c1-14-5-6-18(32-29-7-8-30-32)17(10-14)20(33)31-9-3-4-15(2)19(31)13-28-21-26-11-16(12-27-21)22(23,24)25/h5-8,10-12,15,19H,3-4,9,13H2,1-2H3,(H,26,27,28)/t15-,19-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair