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BDBM335139 US9732075, Example 6.101::[(S)-2-(7-Methyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-(2-methyl-5-m-tolyl-thiazol-4-yl)-methanone

SMILES: Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(C)c1

InChI Key: InChIKey=GZRZSBRCCDOXHS-FQEVSTJZSA-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 = 335139   
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))
BDBM335139
PNG
(US9732075, Example 6.101 | [(S)-2-(7-Methyl-1H-ben...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(C)c1
Show InChI InChI=1S/C25H24N4OS/c1-14-7-5-9-18(11-14)23-22(26-17(4)31-23)25(30)29-13-15(2)12-20(29)24-27-19-10-6-8-16(3)21(19)28-24/h5-11,20H,2,12-13H2,1,3-4H3,(H,27,28)/t20-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335139
PNG
(US9732075, Example 6.101 | [(S)-2-(7-Methyl-1H-ben...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(C)c1
Show InChI InChI=1S/C25H24N4OS/c1-14-7-5-9-18(11-14)23-22(26-17(4)31-23)25(30)29-13-15(2)12-20(29)24-27-19-10-6-8-16(3)21(19)28-24/h5-11,20H,2,12-13H2,1,3-4H3,(H,27,28)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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