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SMILES: CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1

InChI Key: InChIKey=QIPPGLRRKJCTOV-NRFANRHFSA-N

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 = 50119723   
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))
BDBM50119723
PNG
(CHEMBL430502 | N-{(S)-1-[3-(4-Acetyl-phenoxy)-prop...)
Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C23H25N3O3/c1-17(27)19-7-9-22(10-8-19)29-14-2-12-26-13-11-21(16-26)25-23(28)20-5-3-18(15-24)4-6-20/h3-10,21H,2,11-14,16H2,1H3,(H,25,28)/t21-/m0/s1
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PC cid
PC sid
UniChem
PubMed
40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50119723
PNG
(CHEMBL430502 | N-{(S)-1-[3-(4-Acetyl-phenoxy)-prop...)
Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C23H25N3O3/c1-17(27)19-7-9-22(10-8-19)29-14-2-12-26-13-11-21(16-26)25-23(28)20-5-3-18(15-24)4-6-20/h3-10,21H,2,11-14,16H2,1H3,(H,25,28)/t21-/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50119723
PNG
(CHEMBL430502 | N-{(S)-1-[3-(4-Acetyl-phenoxy)-prop...)
Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C23H25N3O3/c1-17(27)19-7-9-22(10-8-19)29-14-2-12-26-13-11-21(16-26)25-23(28)20-5-3-18(15-24)4-6-20/h3-10,21H,2,11-14,16H2,1H3,(H,25,28)/t21-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H1 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair