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BDBM335087 (4-Bromo-biphenyl-2-yl)-[(S)-2-methyl-2-(5-trifluoromethyl-1H-benzoimidazol-2-yl)-pyrrolidin-1-yl]-methanone::US9732075, Example 5.262

SMILES: C[C@]1(CCCN1C(=O)c1cc(Br)ccc1-c1ccccc1)c1nc2cc(ccc2[nH]1)C(F)(F)F

InChI Key: InChIKey=URIHGJROOMIUNL-VWLOTQADSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 335087   
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))
BDBM335087
PNG
((4-Bromo-biphenyl-2-yl)-[(S)-2-methyl-2-(5-trifluo...)
Show SMILES C[C@]1(CCCN1C(=O)c1cc(Br)ccc1-c1ccccc1)c1nc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H21BrF3N3O/c1-25(24-31-21-11-8-17(26(28,29)30)14-22(21)32-24)12-5-13-33(25)23(34)20-15-18(27)9-10-19(20)16-6-3-2-4-7-16/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,31,32)/t25-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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))
BDBM335087
PNG
((4-Bromo-biphenyl-2-yl)-[(S)-2-methyl-2-(5-trifluo...)
Show SMILES C[C@]1(CCCN1C(=O)c1cc(Br)ccc1-c1ccccc1)c1nc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H21BrF3N3O/c1-25(24-31-21-11-8-17(26(28,29)30)14-22(21)32-24)12-5-13-33(25)23(34)20-15-18(27)9-10-19(20)16-6-3-2-4-7-16/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,31,32)/t25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 113n/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