BindingDB logo
myBDB logout

BDBM50150686 CHEMBL182792::[(R)-8-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dipropyl-amine

SMILES: CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC

InChI Key: InChIKey=DVEUPIAVYAIYIM-GOSISDBHSA-N

Data: 3 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 3 hits for monomerid = 50150686   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50150686
PNG
(CHEMBL182792 | [(R)-8-(2,6-Dimethoxy-phenyl)-chrom...)
Show SMILES CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(1.92,-6.31,;1.94,-4.77,;3.27,-4,;3.27,-2.46,;4.6,-1.69,;5.93,-2.46,;7.28,-1.69,;1.94,-1.68,;1.94,-.12,;.58,.65,;-.75,-.12,;-.75,-1.68,;.58,-2.46,;-2.08,-2.43,;-3.41,-1.66,;-3.41,-.12,;-2.08,.65,;-2.09,2.19,;-.76,2.96,;.58,2.19,;1.91,2.96,;-.76,4.5,;-2.1,5.27,;-3.45,4.47,;-3.42,2.94,;-4.75,2.16,;-6.09,2.92,)|
Show InChI InChI=1S/C23H31NO3/c1-5-13-24(14-6-2)18-15-17-9-7-10-19(23(17)27-16-18)22-20(25-3)11-8-12-21(22)26-4/h7-12,18H,5-6,13-16H2,1-4H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.44n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50150686
PNG
(CHEMBL182792 | [(R)-8-(2,6-Dimethoxy-phenyl)-chrom...)
Show SMILES CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(1.92,-6.31,;1.94,-4.77,;3.27,-4,;3.27,-2.46,;4.6,-1.69,;5.93,-2.46,;7.28,-1.69,;1.94,-1.68,;1.94,-.12,;.58,.65,;-.75,-.12,;-.75,-1.68,;.58,-2.46,;-2.08,-2.43,;-3.41,-1.66,;-3.41,-.12,;-2.08,.65,;-2.09,2.19,;-.76,2.96,;.58,2.19,;1.91,2.96,;-.76,4.5,;-2.1,5.27,;-3.45,4.47,;-3.42,2.94,;-4.75,2.16,;-6.09,2.92,)|
Show InChI InChI=1S/C23H31NO3/c1-5-13-24(14-6-2)18-15-17-9-7-10-19(23(17)27-16-18)22-20(25-3)11-8-12-21(22)26-4/h7-12,18H,5-6,13-16H2,1-4H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.44n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for rat serotonin 5-HT7 receptor expressed in Sf9 cells using [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 747-50 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.013
BindingDB Entry DOI: 10.7270/Q2WD4027
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50150686
PNG
(CHEMBL182792 | [(R)-8-(2,6-Dimethoxy-phenyl)-chrom...)
Show SMILES CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(1.92,-6.31,;1.94,-4.77,;3.27,-4,;3.27,-2.46,;4.6,-1.69,;5.93,-2.46,;7.28,-1.69,;1.94,-1.68,;1.94,-.12,;.58,.65,;-.75,-.12,;-.75,-1.68,;.58,-2.46,;-2.08,-2.43,;-3.41,-1.66,;-3.41,-.12,;-2.08,.65,;-2.09,2.19,;-.76,2.96,;.58,2.19,;1.91,2.96,;-.76,4.5,;-2.1,5.27,;-3.45,4.47,;-3.42,2.94,;-4.75,2.16,;-6.09,2.92,)|
Show InChI InChI=1S/C23H31NO3/c1-5-13-24(14-6-2)18-15-17-9-7-10-19(23(17)27-16-18)22-20(25-3)11-8-12-21(22)26-4/h7-12,18H,5-6,13-16H2,1-4H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
174n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair