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BDBM50413499 CHEMBL465170::UR-PI295

SMILES: CCCC(=O)NC(N)=NCCCc1cnc[nH]1

InChI Key: InChIKey=XVZKDKXYAADAMU-UHFFFAOYSA-N

Data: 5 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50413499   
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


(Cavia porcellus (domestic guinea pig))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 186n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig atrium assessed as increase in heart rate


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3 receptor expressed in insect Sf9 cells co-expressing Gialpha2, Gbeta1gamma2 and RGS4 assessed as gamma[32P]GTP binding b...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4 receptor expressed in insect Sf9 cells co-expressing RGS19 fusion protein and Gialpha2, Gbeta1gamma2 assessed as gamma[3...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 141n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H2 receptor expressed in insect Sf9 cells co-expressing GsalphaS fusion protein assessed as gamma[32P]GTP binding by liquid...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.19E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair