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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM294357'   
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


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.420n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32.8n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair