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BDBM334588 US9732075, Example 3.12::[(2S,4R)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methoxy-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1

InChI Key: InChIKey=GOVDVCACXWVVDU-QRWLVFNGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 334588   
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))
BDBM334588
PNG
(US9732075, Example 3.12 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334588
PNG
(US9732075, Example 3.12 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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