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PubMed code 9934454

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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 H1 receptor


(RAT)
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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5.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50063449
PNG
(8-Chloro-11-piperazin-1-yl-6,11-dihydro-5H-benzo[5...)
Show SMILES Clc1ccc2C(N3CCNCC3)c3ncccc3CCc2c1
Show InChI InChI=1S/C18H20ClN3/c19-15-5-6-16-14(12-15)4-3-13-2-1-7-21-17(13)18(16)22-10-8-20-9-11-22/h1-2,5-7,12,18,20H,3-4,8-11H2
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6.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073184
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-6,11-dihydro...)
Show SMILES CN1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C19H22ClN3/c1-22-9-11-23(12-10-22)19-17-7-6-16(20)13-15(17)5-4-14-3-2-8-21-18(14)19/h2-3,6-8,13,19H,4-5,9-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073186
PNG
(4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...)
Show SMILES CN1CCN(CC1=O)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C19H20ClN3O/c1-22-9-10-23(12-17(22)24)19-16-7-6-15(20)11-14(16)5-4-13-3-2-8-21-18(13)19/h2-3,6-8,11,19H,4-5,9-10,12H2,1H3
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49n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073172
PNG
(4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...)
Show SMILES Clc1ccc2C(N3CCNC(=O)C3)c3ncccc3CCc2c1
Show InChI InChI=1S/C18H18ClN3O/c19-14-5-6-15-13(10-14)4-3-12-2-1-7-21-17(12)18(15)22-9-8-20-16(23)11-22/h1-2,5-7,10,18H,3-4,8-9,11H2,(H,20,23)
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140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073180
PNG
(4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...)
Show SMILES Clc1ccc2C(N3CCN(CC3)C=O)c3ncccc3CCc2c1
Show InChI InChI=1S/C19H20ClN3O/c20-16-5-6-17-15(12-16)4-3-14-2-1-7-21-18(14)19(17)23-10-8-22(13-24)9-11-23/h1-2,5-7,12-13,19H,3-4,8-11H2
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290n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007473
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES CC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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320n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073176
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES CC(=O)N1CCCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C21H24ClN3O/c1-15(26)24-10-3-11-25(13-12-24)21-19-8-7-18(22)14-17(19)6-5-16-4-2-9-23-20(16)21/h2,4,7-9,14,21H,3,5-6,10-13H2,1H3
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970n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073182
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES CCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C21H24ClN3O/c1-2-19(26)24-10-12-25(13-11-24)21-18-8-7-17(22)14-16(18)6-5-15-4-3-9-23-20(15)21/h3-4,7-9,14,21H,2,5-6,10-13H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50403681
PNG
(CHEMBL2111767)
Show SMILES CC(=O)N1CCN(CC1)[C@@H]1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3/t20-/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073175
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES CCCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C22H26ClN3O/c1-2-4-20(27)25-11-13-26(14-12-25)22-19-9-8-18(23)15-17(19)7-6-16-5-3-10-24-21(16)22/h3,5,8-10,15,22H,2,4,6-7,11-14H2,1H3
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3.60E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073185
PNG
(2-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...)
Show SMILES Clc1ccc2C(N3CCN4C(CCC4=O)C3)c3ncccc3CCc2c1
Show InChI InChI=1S/C21H22ClN3O/c22-16-5-7-18-15(12-16)4-3-14-2-1-9-23-20(14)21(18)24-10-11-25-17(13-24)6-8-19(25)26/h1-2,5,7,9,12,17,21H,3-4,6,8,10-11,13H2
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3.60E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073181
PNG
(1-[4-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-y...)
Show SMILES CC(=O)N1CCN(CC1)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-16(24)22-12-14-23(15-13-22)21-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,21H,10-15H2,1H3
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3.70E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50073173
PNG
(1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...)
Show SMILES CC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3
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5.40E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50450777
PNG
(CHEMBL2448125)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes


Bioorg Med Chem Lett 8: 3469-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00626-x
BindingDB Entry DOI: 10.7270/Q21J98X8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%