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BDBM50050176 4-Amino-3,5-diiodo-benzoic acid 3-(1H-imidazol-4-yl)-propyl ester::CHEMBL20357

SMILES: Nc1c(I)cc(cc1I)C(=O)OCCCc1cnc[nH]1

InChI Key: InChIKey=UNHCHXIPAZYWRZ-UHFFFAOYSA-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 = 50050176   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50050176
PNG
(4-Amino-3,5-diiodo-benzoic acid 3-(1H-imidazol-4-y...)
Show SMILES Nc1c(I)cc(cc1I)C(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H13I2N3O2/c14-10-4-8(5-11(15)12(10)16)13(19)20-3-1-2-9-6-17-7-18-9/h4-7H,1-3,16H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31.6n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral cortex


J Med Chem 39: 1220-6 (1996)


Article DOI: 10.1021/jm9504767
BindingDB Entry DOI: 10.7270/Q28K7855
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050176
PNG
(4-Amino-3,5-diiodo-benzoic acid 3-(1H-imidazol-4-y...)
Show SMILES Nc1c(I)cc(cc1I)C(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H13I2N3O2/c14-10-4-8(5-11(15)12(10)16)13(19)20-3-1-2-9-6-17-7-18-9/h4-7H,1-3,16H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex


J Med Chem 39: 1220-6 (1996)


Article DOI: 10.1021/jm9504767
BindingDB Entry DOI: 10.7270/Q28K7855
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050176
PNG
(4-Amino-3,5-diiodo-benzoic acid 3-(1H-imidazol-4-y...)
Show SMILES Nc1c(I)cc(cc1I)C(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H13I2N3O2/c14-10-4-8(5-11(15)12(10)16)13(19)20-3-1-2-9-6-17-7-18-9/h4-7H,1-3,16H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex


J Med Chem 39: 1220-6 (1996)


Article DOI: 10.1021/jm9504767
BindingDB Entry DOI: 10.7270/Q28K7855
More data for this
Ligand-Target Pair