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BDBM335161 US9732075, Example 6.121::[(S)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-[5-(3-methoxy-phenyl)-2-methyl-thiazol-4-yl]-methanone

SMILES: COc1cccc(c1)-c1sc(C)nc1C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1

InChI Key: InChIKey=TZAQHYIVSIBZMW-FQEVSTJZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335161   
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))
BDBM335161
PNG
(US9732075, Example 6.121 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES COc1cccc(c1)-c1sc(C)nc1C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C25H23ClN4O2S/c1-13-10-20(24-28-19-9-8-18(26)14(2)21(19)29-24)30(12-13)25(31)22-23(33-15(3)27-22)16-6-5-7-17(11-16)32-4/h5-9,11,20H,1,10,12H2,2-4H3,(H,28,29)/t20-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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 1


(Homo sapiens (Human))
BDBM335161
PNG
(US9732075, Example 6.121 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES COc1cccc(c1)-c1sc(C)nc1C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C25H23ClN4O2S/c1-13-10-20(24-28-19-9-8-18(26)14(2)21(19)29-24)30(12-13)25(31)22-23(33-15(3)27-22)16-6-5-7-17(11-16)32-4/h5-9,11,20H,1,10,12H2,2-4H3,(H,28,29)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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