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BDBM26396 2,4-diamino-5,6-disubstituted pyrimidine, 10::6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine::A-943931

SMILES: N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21

InChI Key: InChIKey=SDTRYHWIXVHTLM-GFCCVEGCSA-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 = 26396   
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 H4 Receptor


(Rattus norvegicus (rat))
BDBM26396
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 10 | 6-[...)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
Show InChI InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
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Article
PubMed
3.80 -11.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26396
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 10 | 6-[...)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
Show InChI InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
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Article
PubMed
4.70 -11.4n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26396
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 10 | 6-[...)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
Show InChI InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
Reactome pathway
KEGG

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antibodypedia
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UniChem

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Article
PubMed
5n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair