BindingDB logo
myBDB logout

BDBM335149 US9732075, Example 6.110::[5-(3-Bromo-4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-[(S)-2-(7-methyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-methanone

SMILES: Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1

InChI Key: InChIKey=CFSZFZQNXIYCLF-IBGZPJMESA-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 = 335149   
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))
BDBM335149
PNG
(US9732075, Example 6.110 | [5-(3-Bromo-4-fluoro-ph...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1
Show InChI InChI=1S/C24H20BrFN4OS/c1-12-9-19(23-28-18-6-4-5-13(2)20(18)29-23)30(11-12)24(31)21-22(32-14(3)27-21)15-7-8-17(26)16(25)10-15/h4-8,10,19H,1,9,11H2,2-3H3,(H,28,29)/t19-/m0/s1
PDB

Reactome pathway
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))
BDBM335149
PNG
(US9732075, Example 6.110 | [5-(3-Bromo-4-fluoro-ph...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1
Show InChI InChI=1S/C24H20BrFN4OS/c1-12-9-19(23-28-18-6-4-5-13(2)20(18)29-23)30(11-12)24(31)21-22(32-14(3)27-21)15-7-8-17(26)16(25)10-15/h4-8,10,19H,1,9,11H2,2-3H3,(H,28,29)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/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