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BDBM119627 US8680275, 184

SMILES: Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1cc[nH]n1

InChI Key: InChIKey=ZLZXBOCSKUBSRY-KXBFYZLASA-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 = 119627   
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))
BDBM119627
PNG
(US8680275, 184)
Show SMILES Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C22H23FN6O/c1-13-10-14(2)26-22(25-13)29-11-15-7-9-28(12-19(15)29)21(30)16-4-3-5-17(23)20(16)18-6-8-24-27-18/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,24,27)/t15-,19-/m0/s1
PDB

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PC cid
PC sid
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Similars

US Patent
9 -10.2n/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))
BDBM119627
PNG
(US8680275, 184)
Show SMILES Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C22H23FN6O/c1-13-10-14(2)26-22(25-13)29-11-15-7-9-28(12-19(15)29)21(30)16-4-3-5-17(23)20(16)18-6-8-24-27-18/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,24,27)/t15-,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
156 -8.63n/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