BindingDB logo
myBDB logout

null

SMILES: CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=CFMVZRSEANQYHW-UHFFFAOYSA-N

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 = 112666   
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))
BDBM112666
PNG
(US8623863, 2-9)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM112666
PNG
(US8623863, 2-9)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
50n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair