BindingDB logo
myBDB logout

BDBM183973 US9150566, 10

InChI string: InChI=1S/C25H24N4O3S/c1-31-23-9-8-18(16-21(23)24-7-4-14-33-24)15-19-17-32-13-12-28(19)25(30)20-5-2-3-6-22(20)29-26-10-11-27-29/h2-11,14,16,19H,12-13,15,17H2,1H3/t19-/m1/s1

SMILES: COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccs1

InChI Key: InChIKey=PNGWMHMVJINNEB-LJQANCHMSA-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 = 183973   
Target
(Institution)
LigandTarget
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 2


(Homo sapiens (Human))
BDBM183973
PNG
(US9150566, 10)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccs1
Show InChI InChI=1S/C25H24N4O3S/c1-31-23-9-8-18(16-21(23)24-7-4-14-33-24)15-19-17-32-13-12-28(19)25(30)20-5-2-3-6-22(20)29-26-10-11-27-29/h2-11,14,16,19H,12-13,15,17H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 31n/an/an/an/an/an/a



ACTELION 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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183973
PNG
(US9150566, 10)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccs1
Show InChI InChI=1S/C25H24N4O3S/c1-31-23-9-8-18(16-21(23)24-7-4-14-33-24)15-19-17-32-13-12-28(19)25(30)20-5-2-3-6-22(20)29-26-10-11-27-29/h2-11,14,16,19H,12-13,15,17H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.5n/an/an/an/an/an/a



ACTELION 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 US9150566 (2015)

More data for this
Ligand-Target Pair