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BDBM50089979 CHEMBL3581250

SMILES: [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23

InChI Key: InChIKey=YLYKMPWESPGEQV-FUBQLUNQSA-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 = 50089979   
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 7


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50089979
PNG
(CHEMBL3581250)
Show SMILES [H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C25H33NO4/c1-7-8-15(2)30-21-13-17-11-19-23-16(9-10-26(19)3)12-22(28-5)25(29-6)24(23)18(17)14-20(21)27-4/h12-15,19H,7-11H2,1-6H3/t15?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
244n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair