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BDBM50327491 2-(cyclopropylmethyl)-9-(1-isopropylpiperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indol-1-one::CHEMBL1257728

SMILES: CC(C)N1CCC(CC1)Oc1ccc2n3CCCN(CC4CC4)C(=O)c3cc2c1

InChI Key: InChIKey=CQIVACKSIGNLEU-UHFFFAOYSA-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 = 50327491   
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 (H3)


(Homo sapiens (Human))
BDBM50327491
PNG
(2-(cyclopropylmethyl)-9-(1-isopropylpiperidin-4-yl...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCCN(CC4CC4)C(=O)c3cc2c1
Show InChI InChI=1S/C24H33N3O2/c1-17(2)25-12-8-20(9-13-25)29-21-6-7-22-19(14-21)15-23-24(28)26(16-18-4-5-18)10-3-11-27(22)23/h6-7,14-15,17-18,20H,3-5,8-13,16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50327491
PNG
(2-(cyclopropylmethyl)-9-(1-isopropylpiperidin-4-yl...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCCN(CC4CC4)C(=O)c3cc2c1
Show InChI InChI=1S/C24H33N3O2/c1-17(2)25-12-8-20(9-13-25)29-21-6-7-22-19(14-21)15-23-24(28)26(16-18-4-5-18)10-3-11-27(22)23/h6-7,14-15,17-18,20H,3-5,8-13,16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 36n/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair