BindingDB logo
myBDB logout

BDBM50440993 CHEMBL2432045

SMILES: C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccccc1

InChI Key: InChIKey=ZWCQZHOWEDKJBN-CAUKCHDASA-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 = 50440993   
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
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50440993
PNG
(CHEMBL2432045)
Show SMILES C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccccc1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
Show InChI InChI=1S/C18H21N/c1-2-4-9(5-3-1)8-19-18-15-11-7-12-14-10(11)6-13(15)16(14)17(12)18/h1-5,10-19H,6-8H2/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.47E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor (unknown origin) by PDSP assay


Bioorg Med Chem 21: 6038-52 (2013)


Article DOI: 10.1016/j.bmc.2013.07.045
BindingDB Entry DOI: 10.7270/Q20P11GK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50440993
PNG
(CHEMBL2432045)
Show SMILES C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccccc1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
Show InChI InChI=1S/C18H21N/c1-2-4-9(5-3-1)8-19-18-15-11-7-12-14-10(11)6-13(15)16(14)17(12)18/h1-5,10-19H,6-8H2/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor (unknown origin) by PDSP assay


Bioorg Med Chem 21: 6038-52 (2013)


Article DOI: 10.1016/j.bmc.2013.07.045
BindingDB Entry DOI: 10.7270/Q20P11GK
More data for this
Ligand-Target Pair