BindingDB logo
myBDB logout

BDBM50045492 CHEMBL3310117

SMILES: Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc-2c(c1)-[#6](-[#8])-c1cccc(-[#6]-[#8])c-21

InChI Key: InChIKey=FZZFZRSSXDRSOC-UHFFFAOYNA-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 = 50045492   
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))
BDBM50045492
PNG
(CHEMBL3310117)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(CO)c-21
Show InChI InChI=1/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/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 (5-HT7)


(Homo sapiens (Human))
BDBM50045492
PNG
(CHEMBL3310117)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(CO)c-21
Show InChI InChI=1/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/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