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BDBM50343021 (R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine::CHEMBL1770971

SMILES: CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1

InChI Key: InChIKey=PICSWVJBZNFKQI-LLVKDONJSA-N

Data: 1 KI  1 EC50

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 = 50343021   
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 receptor (H4)


(Homo sapiens (human))
BDBM50343021
PNG
((R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1
Show InChI InChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50343021
PNG
((R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1
Show InChI InChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as effect on forskolin-induced cAMP accumulation after 6 hr...


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair