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BDBM373175 US9896452, Example 35::rac-N-((5-fluoro-1-(2-methyl-4-phenylthiazole-5-carbonyl)piperidin-2-yl)methyl)quinoline-8-carboxamide

SMILES: Cc1nc(c(s1)C(=O)N1CC(F)CCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1

InChI Key: InChIKey=PDMLXAVPZLMYSF-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 373175   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM373175
PNG
(US9896452, Example 35 | rac-N-((5-fluoro-1-(2-meth...)
Show SMILES Cc1nc(c(s1)C(=O)N1CC(F)CCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1
Show InChI InChI=1/C27H25FN4O2S/c1-17-31-24(19-7-3-2-4-8-19)25(35-17)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16H2,1H3,(H,30,33)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM373175
PNG
(US9896452, Example 35 | rac-N-((5-fluoro-1-(2-meth...)
Show SMILES Cc1nc(c(s1)C(=O)N1CC(F)CCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1
Show InChI InChI=1/C27H25FN4O2S/c1-17-31-24(19-7-3-2-4-8-19)25(35-17)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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