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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 334702   
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 1


(Homo sapiens (Human))
BDBM334702
PNG
(US9732075, Example 4.61 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1ccccc1-c1ccc(C)cc1
Show InChI InChI=1S/C27H26ClN3O/c1-16-8-10-19(11-9-16)20-6-4-5-7-21(20)27(32)31-15-14-17(2)25(31)26-29-23-13-12-22(28)18(3)24(23)30-26/h4-13,17,25H,14-15H2,1-3H3,(H,29,30)/t17-,25-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334702
PNG
(US9732075, Example 4.61 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1ccccc1-c1ccc(C)cc1
Show InChI InChI=1S/C27H26ClN3O/c1-16-8-10-19(11-9-16)20-6-4-5-7-21(20)27(32)31-15-14-17(2)25(31)26-29-23-13-12-22(28)18(3)24(23)30-26/h4-13,17,25H,14-15H2,1-3H3,(H,29,30)/t17-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

More data for this
Ligand-Target Pair