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BDBM118595 US8653263, 248::US9586962, Example 248

SMILES: Cc1ccc(nc1)-c1cc(F)ccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1

InChI Key: InChIKey=RBFRLOPASCMBBU-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 118595   
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 1


(Homo sapiens (Human))
BDBM118595
PNG
(US8653263, 248 | US9586962, Example 248)
Show SMILES Cc1ccc(nc1)-c1cc(F)ccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1/C25H26FN5O/c1-15-4-7-23(27-10-15)22-9-20(26)5-6-21(22)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)8-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3
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Article
US Patent
170 -9.23n/an/an/an/an/an/a25



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 US9586962 (2017)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q27H1MN9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118595
PNG
(US8653263, 248 | US9586962, Example 248)
Show SMILES Cc1ccc(nc1)-c1cc(F)ccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1/C25H26FN5O/c1-15-4-7-23(27-10-15)22-9-20(26)5-6-21(22)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)8-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3
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US Patent
170n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...


US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118595
PNG
(US8653263, 248 | US9586962, Example 248)
Show SMILES Cc1ccc(nc1)-c1cc(F)ccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1/C25H26FN5O/c1-15-4-7-23(27-10-15)22-9-20(26)5-6-21(22)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)8-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3
PDB

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Article
US Patent
1.40E+3 -7.98n/an/an/an/an/an/a25



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 US9586962 (2017)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q27H1MN9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118595
PNG
(US8653263, 248 | US9586962, Example 248)
Show SMILES Cc1ccc(nc1)-c1cc(F)ccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1/C25H26FN5O/c1-15-4-7-23(27-10-15)22-9-20(26)5-6-21(22)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)8-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3
PDB

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PC sid
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US Patent
1.40E+3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...


US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair