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PubMed code 1350797

Compile data set for download or QSAR
Found 21 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


(Cavia porcellus (domestic guinea pig))
BDBM50002099
PNG
(CHEMBL366965 | Dimethyl-[3-(2-methyl-6H-dibenzo[b,...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(C)cc12
Show InChI InChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+
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0.130n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002083
PNG
(2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CCO)cc12
Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8+
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0.480n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002102
PNG
(2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CCO)cc12
Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8-
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0.630n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002103
PNG
(3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-9,11,14H,5,10,12-13,15H2,1-2H3,(H,24,25)/b19-8+
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002095
PNG
(11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8+
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002085
PNG
(CHEMBL304185 | [11-(4-Dimethylamino-butylidene)-6,...)
Show SMILES CN(C)CCC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C22H25NO3/c1-23(2)12-6-5-9-19-18-8-4-3-7-17(18)15-26-21-11-10-16(13-20(19)21)14-22(24)25/h3-4,7-11,13H,5-6,12,14-15H2,1-2H3,(H,24,25)/b19-9-
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4.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002086
PNG
(11-(3-Pyrrolidin-1-yl-propylidene)-6,11-dihydro-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCCC3)c2c1
Show InChI InChI=1S/C22H23NO3/c24-22(25)16-9-10-21-20(14-16)19(8-5-13-23-11-3-4-12-23)18-7-2-1-6-17(18)15-26-21/h1-2,6-10,14H,3-5,11-13,15H2,(H,24,25)/b19-8-
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5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002093
PNG
(CHEMBL65699 | [11-(3-Dimethylamino-propylidene)-6,...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+
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5.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002097
PNG
(11-(4-Dimethylamino-butylidene)-6,11-dihydro-diben...)
Show SMILES CN(C)CCC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9-
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5.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002098
PNG
(11-(4-Dimethylamino-butylidene)-6,11-dihydro-diben...)
Show SMILES CN(C)CCC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9+
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6.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002092
PNG
(11-(3-Thiomorpholin-4-yl-propylidene)-6,11-dihydro...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCSCC3)c2c1
Show InChI InChI=1S/C22H23NO3S/c24-22(25)16-7-8-21-20(14-16)19(6-3-9-23-10-12-27-13-11-23)18-5-2-1-4-17(18)15-26-21/h1-2,4-8,14H,3,9-13,15H2,(H,24,25)/b19-6-
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7.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002100
PNG
(11-(3-Diethylamino-propylidene)-6,11-dihydro-diben...)
Show SMILES CCN(CC)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-3-23(4-2)13-7-10-19-18-9-6-5-8-17(18)15-26-21-12-11-16(22(24)25)14-20(19)21/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3,(H,24,25)/b19-10-
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10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002088
PNG
(CHEMBL302005 | [11-(2-Dimethylamino-ethylidene)-6,...)
Show SMILES CN(C)C\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9+
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11n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002101
PNG
(11-(2-Dimethylamino-ethylidene)-6,11-dihydro-diben...)
Show SMILES CN(C)C\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C19H19NO3/c1-20(2)10-9-16-15-6-4-3-5-14(15)12-23-18-8-7-13(19(21)22)11-17(16)18/h3-9,11H,10,12H2,1-2H3,(H,21,22)/b16-9+
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12n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002084
PNG
(11-(2-Dimethylamino-ethylsulfanyl)-6,11-dihydro-di...)
Show SMILES CN(C)CCSC1c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-20(2)9-10-24-18-15-6-4-3-5-14(15)12-23-17-8-7-13(19(21)22)11-16(17)18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)
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14n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002089
PNG
(3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-9,11,14H,5,10,12-13,15H2,1-2H3,(H,24,25)/b19-8-
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15n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002096
PNG
(ALO-4943A | CHEMBL1719 | KW-4679 | OLOPATADINE HYD...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
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16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002091
PNG
(11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8-
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20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002090
PNG
(11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-12-14(20(22)23)9-10-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8-
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24n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002094
PNG
(3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(\C=C\C(O)=O)cc12
Show InChI InChI=1S/C22H23NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-12,14H,5,13,15H2,1-2H3,(H,24,25)/b12-10+,19-8-
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29n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%