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BDBM335287 US9732075, Example 6.58::[(S)-2-(4,6-Dimethyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-[5-(3,4-dimethyl-phenyl)-2-methyl-thiazol-4-yl]-methanone

SMILES: Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1

InChI Key: InChIKey=UCGAGGJWCWXTIP-QFIPXVFZSA-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 = 335287   
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))
BDBM335287
PNG
(US9732075, Example 6.58 | [(S)-2-(4,6-Dimethyl-1H-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/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))
BDBM335287
PNG
(US9732075, Example 6.58 | [(S)-2-(4,6-Dimethyl-1H-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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