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SMILES: C[C@@H]1C2CC(C2)N(C1CNc1cnc2cc(F)ccc2n1)C(=O)c1cc(Cl)ccc1-n1nccn1

InChI Key:

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 4 hits for monomerid = 604090   
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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM604090
PNG
(US11660293, Example 207 | US11660293, Example 209)
Show SMILES C[C@@H]1C2CC(C2)N(C1CNc1cnc2cc(F)ccc2n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r,wU:1.0,(-.67,4.78,;-2,4.01,;-3.33,4.78,;-4.67,4.01,;-4.67,2.47,;-3.33,3.24,;-3.33,1.7,;-2,2.47,;-.67,1.7,;.67,2.47,;2,1.7,;2,.16,;3.33,-.61,;4.67,.16,;6,-.61,;7.34,.16,;8.67,-.61,;7.34,1.7,;6,2.47,;4.67,1.7,;3.33,2.47,;-3.33,.16,;-2,-.61,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-8.67,.16,;-7.34,-2.15,;-6,-2.92,;-4.67,-2.15,;-3.33,-2.92,;-3.17,-4.46,;-1.67,-4.78,;-.9,-3.44,;-1.93,-2.3,)|
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.82n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CJQ
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM604090
PNG
(US11660293, Example 207 | US11660293, Example 209)
Show SMILES C[C@@H]1C2CC(C2)N(C1CNc1cnc2cc(F)ccc2n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r,wU:1.0,(-.67,4.78,;-2,4.01,;-3.33,4.78,;-4.67,4.01,;-4.67,2.47,;-3.33,3.24,;-3.33,1.7,;-2,2.47,;-.67,1.7,;.67,2.47,;2,1.7,;2,.16,;3.33,-.61,;4.67,.16,;6,-.61,;7.34,.16,;8.67,-.61,;7.34,1.7,;6,2.47,;4.67,1.7,;3.33,2.47,;-3.33,.16,;-2,-.61,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-8.67,.16,;-7.34,-2.15,;-6,-2.92,;-4.67,-2.15,;-3.33,-2.92,;-3.17,-4.46,;-1.67,-4.78,;-.9,-3.44,;-1.93,-2.3,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.47n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CJQ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM604090
PNG
(US11660293, Example 207 | US11660293, Example 209)
Show SMILES C[C@@H]1C2CC(C2)N(C1CNc1cnc2cc(F)ccc2n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r,wU:1.0,(-.67,4.78,;-2,4.01,;-3.33,4.78,;-4.67,4.01,;-4.67,2.47,;-3.33,3.24,;-3.33,1.7,;-2,2.47,;-.67,1.7,;.67,2.47,;2,1.7,;2,.16,;3.33,-.61,;4.67,.16,;6,-.61,;7.34,.16,;8.67,-.61,;7.34,1.7,;6,2.47,;4.67,1.7,;3.33,2.47,;-3.33,.16,;-2,-.61,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-8.67,.16,;-7.34,-2.15,;-6,-2.92,;-4.67,-2.15,;-3.33,-2.92,;-3.17,-4.46,;-1.67,-4.78,;-.9,-3.44,;-1.93,-2.3,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
158n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CJQ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM604090
PNG
(US11660293, Example 207 | US11660293, Example 209)
Show SMILES C[C@@H]1C2CC(C2)N(C1CNc1cnc2cc(F)ccc2n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r,wU:1.0,(-.67,4.78,;-2,4.01,;-3.33,4.78,;-4.67,4.01,;-4.67,2.47,;-3.33,3.24,;-3.33,1.7,;-2,2.47,;-.67,1.7,;.67,2.47,;2,1.7,;2,.16,;3.33,-.61,;4.67,.16,;6,-.61,;7.34,.16,;8.67,-.61,;7.34,1.7,;6,2.47,;4.67,1.7,;3.33,2.47,;-3.33,.16,;-2,-.61,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-8.67,.16,;-7.34,-2.15,;-6,-2.92,;-4.67,-2.15,;-3.33,-2.92,;-3.17,-4.46,;-1.67,-4.78,;-.9,-3.44,;-1.93,-2.3,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
363n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2280CJQ
More data for this
Ligand-Target Pair