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BDBM50269097 (4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(methylsulfonyl)-1H-indol-2-yl)methanone::CHEMBL495639

SMILES: CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O

InChI Key: InChIKey=LYADNSNBFMPRRX-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50269097   
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))
BDBM50269097
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50269097
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50269097
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair