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BDBM86170 Dimethylhistaprodifen::N,N-Dimethyl-2-(3,3-diphenylpropyl)-1H-imidazole-4-(ethanamine)

SMILES: CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1

InChI Key: InChIKey=GNBOIGBQIBQOIA-UHFFFAOYSA-N

Data: 2 KI  13 Kd

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 15 hits for monomerid = 86170   
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 H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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Article
PubMed
310n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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400n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 4 receptor of rat


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 1.38n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 7.76E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards Alpha-1D adrenergic receptor of rat


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Homo sapiens (Human))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 3 receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards Histamine H3 receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 3.72E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 2A receptor of rat


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 2.51n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig aorta (contraction) at a mepyramine concentration of 100 nM


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>3.16E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 1B receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 10.5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig aorta (relaxation) at a mepyramine concentration of 100 nM


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 1.15E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards Muscarinic acetylcholine receptor M3 of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 2.63E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards Beta-1 adrenergic receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 2.63E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards Histamine H2 receptor of guinea pig


J Med Chem 43: 1071-84 (2000)


BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair