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BDBM50045493 CHEMBL3310116

SMILES: Cl.[#6]-c1cccc2-c3ccc(cc3-[#6](-[#8])-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=SKLCKJYAZFZKJB-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 = 50045493   
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 2B


(Homo sapiens (Human))
BDBM50045493
PNG
(CHEMBL3310116)
Show SMILES Cl.[#6]-c1cccc2-c3ccc(cc3-[#6](-[#8])-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C16H15N3O2/c1-8-3-2-4-11-10-6-5-9(15(21)19-16(17)18)7-12(10)14(20)13(8)11/h2-7,14,20H,1H3,(H4,17,18,19,21)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50045493
PNG
(CHEMBL3310116)
Show SMILES Cl.[#6]-c1cccc2-c3ccc(cc3-[#6](-[#8])-c12)-[#6](=O)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C16H15N3O2/c1-8-3-2-4-11-10-6-5-9(15(21)19-16(17)18)7-12(10)14(20)13(8)11/h2-7,14,20H,1H3,(H4,17,18,19,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair