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6 similar compounds to monomer 22567

Compile data set for download or QSAR
Wt: 359.4
BDBM114608
Wt: 271.3
BDBM50404156
Purchase
Wt: 342.4
BDBM50404166
Wt: 370.5
BDBM50404154
Wt: 314.4
BDBM50404155
Wt: 398.5
BDBM50404158

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 114608,50404156,50404166,50404154,50404155,50404158   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM114608
PNG
(1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine | 1-[(...)
Show SMILES C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-2-6-21(7-3-1)19-27-22-11-9-20(10-12-22)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-19H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114608
PNG
(1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine | 1-[(...)
Show SMILES C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-2-6-21(7-3-1)19-27-22-11-9-20(10-12-22)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-19H2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404154
PNG
(CHEMBL21278)
Show SMILES COc1ccc(CN(CCN(C)CCCCCCN)c2ccccn2)cc1
Show InChI InChI=1S/C22H34N4O/c1-25(16-8-4-3-6-14-23)17-18-26(22-9-5-7-15-24-22)19-20-10-12-21(27-2)13-11-20/h5,7,9-13,15H,3-4,6,8,14,16-19,23H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 12.9n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Bioorg Med Chem Lett 13: 1245-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00113-6
BindingDB Entry DOI: 10.7270/Q2NC62CB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404166
PNG
(CHEMBL21520)
Show SMILES COc1ccc(CN(CCN(C)CCCCN)c2ccccn2)cc1
Show InChI InChI=1S/C20H30N4O/c1-23(14-6-4-12-21)15-16-24(20-7-3-5-13-22-20)17-18-8-10-19(25-2)11-9-18/h3,5,7-11,13H,4,6,12,14-17,21H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 22.4n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Bioorg Med Chem Lett 13: 1245-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00113-6
BindingDB Entry DOI: 10.7270/Q2NC62CB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404156
PNG
(2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyri...)
Show SMILES CNCCN(Cc1ccc(OC)cc1)c1ccccn1
Show InChI InChI=1S/C16H21N3O/c1-17-11-12-19(16-5-3-4-10-18-16)13-14-6-8-15(20-2)9-7-14/h3-10,17H,11-13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.61n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Bioorg Med Chem Lett 13: 1245-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00113-6
BindingDB Entry DOI: 10.7270/Q2NC62CB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404158
PNG
(CHEMBL21735)
Show SMILES COc1ccc(CN(CCN(C)CCCCCCCCN)c2ccccn2)cc1
Show InChI InChI=1S/C24H38N4O/c1-27(18-10-6-4-3-5-8-16-25)19-20-28(24-11-7-9-17-26-24)21-22-12-14-23(29-2)15-13-22/h7,9,11-15,17H,3-6,8,10,16,18-21,25H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.77n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Bioorg Med Chem Lett 13: 1245-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00113-6
BindingDB Entry DOI: 10.7270/Q2NC62CB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404155
PNG
(CHEMBL416378)
Show SMILES COc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1
Show InChI InChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 13.2n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Bioorg Med Chem Lett 13: 1245-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00113-6
BindingDB Entry DOI: 10.7270/Q2NC62CB
More data for this
Ligand-Target Pair