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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 104707   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Rattus norvegicus (Rat))
BDBM104707
PNG
(US8569311, 1-34)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-6-7-16(14-31-20-9-8-17(24)12-28-20)13-29(15)23(30)21-18(4-2-5-19(21)25)22-26-10-3-11-27-22/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
0.680n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM104707
PNG
(US8569311, 1-34)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-6-7-16(14-31-20-9-8-17(24)12-28-20)13-29(15)23(30)21-18(4-2-5-19(21)25)22-26-10-3-11-27-22/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
8.20n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair