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BDBM86744 UR-AK62

SMILES: NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1

InChI Key: InChIKey=GRHNPETZKNATKG-UHFFFAOYSA-N

Data: 4 KI  1 Kd  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 6 hits for monomerid = 86744   
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))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.45E+3n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair