BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50038359   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50375373
PNG
(CHEMBL129306)
Show SMILES OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50375374
PNG
(CHEMBL259264)
Show SMILES OCCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C22H36N2O2/c25-17-11-20-9-15-24(16-10-20)19-21-5-7-22(8-6-21)26-18-4-14-23-12-2-1-3-13-23/h5-8,20,25H,1-4,9-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50375375
PNG
(CHEMBL259482)
Show SMILES OCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C21H34N2O2/c24-18-20-9-14-23(15-10-20)17-19-5-7-21(8-6-19)25-16-4-13-22-11-2-1-3-12-22/h5-8,20,24H,1-4,9-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50375374
PNG
(CHEMBL259264)
Show SMILES OCCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C22H36N2O2/c25-17-11-20-9-15-24(16-10-20)19-21-5-7-22(8-6-21)26-18-4-14-23-12-2-1-3-13-23/h5-8,20,25H,1-4,9-19H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50375375
PNG
(CHEMBL259482)
Show SMILES OCC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C21H34N2O2/c24-18-20-9-14-23(15-10-20)17-19-5-7-21(8-6-19)25-16-4-13-22-11-2-1-3-12-22/h5-8,20,24H,1-4,9-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50375373
PNG
(CHEMBL129306)
Show SMILES OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50060582
PNG
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
DrugBank
PDB
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AChE

Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)