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Compile Data Set for Download or QSAR

Found 3082 hits with Last Name = 'mori' and Initial = 'k'   
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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0.140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
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 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
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...


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
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...


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg .


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11123
PNG
((2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phen...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19F2N3O/c21-15-7-8-17(18(22)11-15)14-5-3-13(4-6-14)10-19(24)20(26)25-9-1-2-16(25)12-23/h3-8,11,16,19H,1-2,9-10,24H2/t16-,19-/m0/s1
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2.20 -49.4n/an/an/an/an/a7.425



Johnson & Johnson Pharmaceutical



Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...


Bioorg Med Chem Lett 16: 123-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11121
PNG
((2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]p...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1
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3.10 -48.6n/an/an/an/an/a7.425



Johnson & Johnson Pharmaceutical



Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...


Bioorg Med Chem Lett 16: 123-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50216147
PNG
(CHEMBL134237)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccc3ccccc3c2)C1=O
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4.30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 399-404 (1998)


BindingDB Entry DOI: 10.7270/Q2222WZ0
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11122
PNG
((2S)-1-[(2S)-2-amino-3-[4-(2-fluorophenyl)phenyl]p...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H20FN3O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)12-19(23)20(25)24-11-3-4-16(24)13-22/h1-2,5-10,16,19H,3-4,11-12,23H2/t16-,19-/m0/s1
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5.30 -47.2n/an/an/an/an/a7.425



Johnson & Johnson Pharmaceutical



Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...


Bioorg Med Chem Lett 16: 123-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ
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...


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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6n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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6 -46.9n/an/an/an/an/a7.525



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040108
PNG
(11-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylsulfa...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C26H25NO3S/c28-26(29)19-9-10-24-23(15-19)25(22-8-4-3-7-21(22)17-30-24)31-14-13-27-12-11-18-5-1-2-6-20(18)16-27/h1-10,15,25H,11-14,16-17H2,(H,28,29)
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6.90n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor


J Med Chem 36: 417-20 (1993)


BindingDB Entry DOI: 10.7270/Q2Q23Z9K
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215950
PNG
(CHEMBL55046)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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7n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB1 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215392
PNG
(CHEMBL131565)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(C(=O)OC(C)(C)C)C1=O
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7.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 399-404 (1998)


BindingDB Entry DOI: 10.7270/Q2222WZ0
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213617
PNG
((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...)
Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
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9n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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9n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(MOUSE)
BDBM50213617
PNG
((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...)
Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
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9n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor


Bioorg Med Chem Lett 17: 4030-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.093
BindingDB Entry DOI: 10.7270/Q2P55N60
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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9n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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9n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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9n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor


J Med Chem 36: 417-20 (1993)


BindingDB Entry DOI: 10.7270/Q2Q23Z9K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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9n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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10n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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10n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040114
PNG
(CHEMBL336198 | {11-[2-(4-Benzyl-piperidin-1-yl)-et...)
Show SMILES OC(=O)Cc1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C30H33NO3S/c32-29(33)20-24-10-11-28-27(19-24)30(26-9-5-4-8-25(26)21-34-28)35-17-16-31-14-12-23(13-15-31)18-22-6-2-1-3-7-22/h1-11,19,23,30H,12-18,20-21H2,(H,32,33)
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10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor


J Med Chem 36: 417-20 (1993)


BindingDB Entry DOI: 10.7270/Q2Q23Z9K
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


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
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.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor


J Med Chem 36: 417-20 (1993)


BindingDB Entry DOI: 10.7270/Q2Q23Z9K
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...


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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