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BDBM119642 US8680275, 2

SMILES: Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1ccco1

InChI Key: InChIKey=WNWUDGHZOXYLNZ-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 = 119642   
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))
BDBM119642
PNG
(US8680275, 2)
Show SMILES Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1ccco1
Show InChI InChI=1S/C23H24N4O2/c1-15-12-16(2)25-23(24-15)27-13-17-9-10-26(14-20(17)27)22(28)19-7-4-3-6-18(19)21-8-5-11-29-21/h3-8,11-12,17,20H,9-10,13-14H2,1-2H3
PDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
4 -10.6n/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))
BDBM119642
PNG
(US8680275, 2)
Show SMILES Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1ccco1
Show InChI InChI=1S/C23H24N4O2/c1-15-12-16(2)25-23(24-15)27-13-17-9-10-26(14-20(17)27)22(28)19-7-4-3-6-18(19)21-8-5-11-29-21/h3-8,11-12,17,20H,9-10,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
61 -9.14n/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