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BDBM119647 US8680275, 10

SMILES: Cc1ccc(cc1)-c1ccccc1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1

InChI Key: InChIKey=WBLFAGDVIJVAMF-UHFFFAOYSA-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 = 119647   
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))
BDBM119647
PNG
(US8680275, 10)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H26N4O/c1-19-10-12-20(13-11-19)22-6-2-3-7-23(22)28(33)31-15-14-21-17-32(26(21)18-31)27-16-29-24-8-4-5-9-25(24)30-27/h2-13,16,21,26H,14-15,17-18H2,1H3
PDB

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PC cid
PC sid
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Similars

US Patent
18 -9.81n/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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119647
PNG
(US8680275, 10)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H26N4O/c1-19-10-12-20(13-11-19)22-6-2-3-7-23(22)28(33)31-15-14-21-17-32(26(21)18-31)27-16-29-24-8-4-5-9-25(24)30-27/h2-13,16,21,26H,14-15,17-18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
44 -9.32n/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