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BDBM119558 US8680275, 114

SMILES: Cc1cncc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccc(F)cc1-n1nccn1

InChI Key: InChIKey=MQUOGPOCGAQVDA-SHTGXJIWNA-N

Data: 2 KI

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 = 119558   
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))
BDBM119558
PNG
(US8680275, 114)
Show SMILES Cc1cncc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1/C20H20FN7O/c1-13-9-22-10-19(25-13)27-11-14-4-7-26(12-18(14)27)20(29)16-3-2-15(21)8-17(16)28-23-5-6-24-28/h2-3,5-6,8-10,14,18H,4,7,11-12H2,1H3/t14-,18-/s2
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
494 -7.99n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM119558
PNG
(US8680275, 114)
Show SMILES Cc1cncc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1/C20H20FN7O/c1-13-9-22-10-19(25-13)27-11-14-4-7-26(12-18(14)27)20(29)16-3-2-15(21)8-17(16)28-23-5-6-24-28/h2-3,5-6,8-10,14,18H,4,7,11-12H2,1H3/t14-,18-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.00E+4 -6.34n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair