BindingDB logo
myBDB logout

BDBM163955 US9062078, 86::US9637496, 86::US9695183, 86

SMILES: Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2

InChI Key: InChIKey=WDUZDRFTFHZVIO-UHFFFAOYNA-N

Data: 6 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 6 hits for monomerid = 163955   
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))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>1.00E+4>-7.16n/an/an/an/an/an/a40



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>1.00E+4>-7.16n/an/an/an/an/an/a40



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



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 (Hyclone, cat #SH30022), 10% ...


US Patent US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>1.00E+4>-7.16n/an/an/an/an/an/a40



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 (Hyclone, cat # SH30022), 10%...


US Patent US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163955
PNG
(US9062078, 86 | US9637496, 86 | US9695183, 86)
Show SMILES Cc1ccc(N2CCNCC2)c(n1)C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/C23H29N5O2/c1-16-5-7-20(27-12-10-24-11-13-27)22(26-16)23(29)28-18-6-8-19(28)17(14-18)15-30-21-4-2-3-9-25-21/h2-5,7,9,17-19,24H,6,8,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair