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BDBM123352 US8742106, 1.73

SMILES: CC(Oc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=GBWJJRMQQJCNOS-VYRBHSGPSA-N

Data: 2 Kd

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 = 123352   
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))
BDBM123352
PNG
(US8742106, 1.73)
Show SMILES CC(Oc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C25H23F3N4O2/c1-15(17-10-6-4-7-11-17)29-24(33)16(2)34-20-14-19(25(26,27)28)21-22(18-12-8-5-9-13-18)31-32(3)23(21)30-20/h4-16H,1-3H3,(H,29,33)/t15-,16?/m0/s1
PDB

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KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/an/a 162n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123352
PNG
(US8742106, 1.73)
Show SMILES CC(Oc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C25H23F3N4O2/c1-15(17-10-6-4-7-11-17)29-24(33)16(2)34-20-14-19(25(26,27)28)21-22(18-12-8-5-9-13-18)31-32(3)23(21)30-20/h4-16H,1-3H3,(H,29,33)/t15-,16?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 225n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair