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SMILES: COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1

InChI Key: InChIKey=CWESDWISKQSTDD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 301963   
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))		BDBM301963
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
Show InChI InChI=1S/C22H29N5O/c1-16-13-17(2)25-22(24-16)27-11-9-26(10-12-27)8-4-5-18-15-23-21-7-6-19(28-3)14-20(18)21/h6-7,13-15,23H,4-5,8-12H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
 0.290n/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