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BDBM301956 3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile::US9598401, Example 10

SMILES: COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1

InChI Key: InChIKey=YYSGFKYOICNQAC-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 = 301956   
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))
BDBM301956
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H26N6O2/c1-29-20-13-21(30-2)26-22(25-20)28-10-8-27(9-11-28)7-3-4-17-15-24-19-6-5-16(14-23)12-18(17)19/h5-6,12-13,15,24H,3-4,7-11H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.30n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM301956
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H26N6O2/c1-29-20-13-21(30-2)26-22(25-20)28-10-8-27(9-11-28)7-3-4-17-15-24-19-6-5-16(14-23)12-18(17)19/h5-6,12-13,15,24H,3-4,7-11H2,1-2H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
200n/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