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BDBM301982 Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1-yl)-4-methylthiazole-5-carboxylate::US9598401, Example 38

SMILES: CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1

InChI Key: InChIKey=FKJYOHQRGCBKAB-UHFFFAOYSA-N

Data: 2 KI

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 = 301982   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM301982
PNG
(Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piper...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H27FN4O2S/c1-3-29-21(28)20-15(2)25-22(30-20)27-11-9-26(10-12-27)8-4-5-16-14-24-19-7-6-17(23)13-18(16)19/h6-7,13-14,24H,3-5,8-12H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.270n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
Dopamine D2 S receptor


(Homo sapiens (Human))
BDBM301982
PNG
(Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piper...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H27FN4O2S/c1-3-29-21(28)20-15(2)25-22(30-20)27-11-9-26(10-12-27)8-4-5-16-14-24-19-7-6-17(23)13-18(16)19/h6-7,13-14,24H,3-5,8-12H2,1-2H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
270n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Cell membrane homogenates (24 μg protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of...


US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair