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BDBM50404824 CHEMBL302907

SMILES: NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1

InChI Key: InChIKey=JDKAFLSRQPKFCQ-UHFFFAOYSA-N

Data: 2 Kd

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 = 50404824   
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 H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404824
PNG
(CHEMBL302907)
Show SMILES NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1
Show InChI InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.26E+5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of Histamine H1 receptor in the isolated guinea pig ileum


J Med Chem 25: 210-2 (1982)


Article DOI: 10.1021/jm00345a003
BindingDB Entry DOI: 10.7270/Q2CR5VJ1
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404824
PNG
(CHEMBL302907)
Show SMILES NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1
Show InChI InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 25.1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive antagonism of Histamine H2 receptor in the isolated guinea pig atrium


J Med Chem 25: 210-2 (1982)


Article DOI: 10.1021/jm00345a003
BindingDB Entry DOI: 10.7270/Q2CR5VJ1
More data for this
Ligand-Target Pair