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BDBM335325 US9732075, Example 6.93::rac-[2-(4-Bromo-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-(2-cyclopropyl-5-m-tolyl-thiazol-4-yl)-methanone

SMILES: Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2c(Br)cccc2[nH]1)C1CC1

InChI Key: InChIKey=SUUDDUCMECPZLW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335325   
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))
BDBM335325
PNG
(US9732075, Example 6.93 | rac-[2-(4-Bromo-1H-benzo...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2c(Br)cccc2[nH]1)C1CC1
Show InChI InChI=1S/C26H23BrN4OS/c1-14-5-3-6-17(11-14)23-22(30-25(33-23)16-9-10-16)26(32)31-13-15(2)12-20(31)24-28-19-8-4-7-18(27)21(19)29-24/h3-8,11,16,20H,2,9-10,12-13H2,1H3,(H,28,29)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM335325
PNG
(US9732075, Example 6.93 | rac-[2-(4-Bromo-1H-benzo...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2c(Br)cccc2[nH]1)C1CC1
Show InChI InChI=1S/C26H23BrN4OS/c1-14-5-3-6-17(11-14)23-22(30-25(33-23)16-9-10-16)26(32)31-13-15(2)12-20(31)24-28-19-8-4-7-18(27)21(19)29-24/h3-8,11,16,20H,2,9-10,12-13H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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