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Compile Data Set for Download or QSAR

Found 1481 hits with Last Name = 'sato' and Initial = 'h'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM719
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/s2
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0.0880 -59.7n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM718
PNG
((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C
Show InChI InChI=1/C33H39N3O5S/c1-5-24-25(16-11-17-27(24)37)30(39)35-26(18-22-13-7-6-8-14-22)28(38)32(41)36-20-42-33(3,4)29(36)31(40)34-19-23-15-10-9-12-21(23)2/h6-17,26,28-29,37-38H,5,18-20H2,1-4H3,(H,34,40)(H,35,39)/t26-,28-,29+/s2
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0.160 -58.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM717
PNG
((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl
Show InChI InChI=1/C31H34ClN3O5S/c1-19-22(13-9-15-25(19)36)28(38)34-24(16-20-10-5-4-6-11-20)26(37)30(40)35-18-41-31(2,3)27(35)29(39)33-17-21-12-7-8-14-23(21)32/h4-15,24,26-27,36-37H,16-18H2,1-3H3,(H,33,39)(H,34,38)/t24-,26-,27+/s2
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0.290 -56.6n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
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...


J Med Chem 35: 2074-84 (1992)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM580
PNG
((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/s2
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0.330 -56.3n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
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)


Article DOI: 10.1021/jm00089a020
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM579
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/s2
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0.740 -54.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002792
PNG
(11-[2-(5-Benzylcarbamoyl-benzoimidazol-1-yl)-ethyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C32H25N3O4/c36-31(33-18-21-6-2-1-3-7-21)22-10-12-29-28(17-22)34-20-35(29)15-14-26-25-9-5-4-8-24(25)19-39-30-13-11-23(32(37)38)16-27(26)30/h1-14,16-17,20H,15,18-19H2,(H,33,36)(H,37,38)/b26-14+
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0.910n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM712
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/s2
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1.40 -52.6n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002778
PNG
(11-[2-(5-Nitro-benzoimidazol-1-yl)-ethylidene]-6,1...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C24H17N3O5/c28-24(29)15-5-8-23-20(11-15)19(18-4-2-1-3-16(18)13-32-23)9-10-26-14-25-21-12-17(27(30)31)6-7-22(21)26/h1-9,11-12,14H,10,13H2,(H,28,29)/b19-9+
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1.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002784
PNG
(11-[2-(5-Trifluoromethyl-benzoimidazol-1-yl)-ethyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H17F3N2O3/c26-25(27,28)17-6-7-22-21(12-17)29-14-30(22)10-9-19-18-4-2-1-3-16(18)13-33-23-8-5-15(24(31)32)11-20(19)23/h1-9,11-12,14H,10,13H2,(H,31,32)/b19-9+
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2.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM715
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1/C29H39N3O5S/c1-7-19-20(14-11-15-22(19)33)25(35)30-21(16-18-12-9-8-10-13-18)23(34)27(37)32-17-38-29(5,6)24(32)26(36)31-28(2,3)4/h8-15,21,23-24,33-34H,7,16-17H2,1-6H3,(H,30,35)(H,31,36)/t21-,23-,24+/s2
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2.24 -51.4n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002787
PNG
(11-(2-[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]imidazol-...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc5OCOc5cc34)c2c1
Show InChI InChI=1S/C25H18N2O5/c28-25(29)15-5-6-22-19(9-15)18(17-4-2-1-3-16(17)12-30-22)7-8-27-13-26-20-10-23-24(11-21(20)27)32-14-31-23/h1-7,9-11,13H,8,12,14H2,(H,28,29)/b18-7+
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002785
PNG
(11-[2-(5,6-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1cc2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2cc1C
Show InChI InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b21-9+
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002796
PNG
(11-[2-(5-Methoxy-benzoimidazol-1-yl)-ethylidene]-6...)
Show SMILES COc1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1S/C25H20N2O4/c1-30-18-7-8-23-22(13-18)26-15-27(23)11-10-20-19-5-3-2-4-17(19)14-31-24-9-6-16(25(28)29)12-21(20)24/h2-10,12-13,15H,11,14H2,1H3,(H,28,29)/b20-10+
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3.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002808
PNG
(11-[2-(5,6-Dimethoxy-benzoimidazol-1-yl)-ethyliden...)
Show SMILES COc1cc2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2cc1OC
Show InChI InChI=1S/C26H22N2O5/c1-31-24-12-21-22(13-25(24)32-2)28(15-27-21)10-9-19-18-6-4-3-5-17(18)14-33-23-8-7-16(26(29)30)11-20(19)23/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b19-9+
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3.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002814
PNG
(11-[2-(4,5-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1C
Show InChI InChI=1S/C26H22N2O3/c1-16-7-9-23-25(17(16)2)27-15-28(23)12-11-21-20-6-4-3-5-19(20)14-31-24-10-8-18(26(29)30)13-22(21)24/h3-11,13,15H,12,14H2,1-2H3,(H,29,30)/b21-11+
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3.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002759
PNG
(5-(2-Benzenesulfonylamino-ethylsulfanyl)-5,11-dihy...)
Show SMILES OC(=O)c1ccc2SCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1/C23H21NO4S3/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)29-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
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3.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002759
PNG
(5-(2-Benzenesulfonylamino-ethylsulfanyl)-5,11-dihy...)
Show SMILES OC(=O)c1ccc2SCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1/C23H21NO4S3/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)29-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
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3.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002783
PNG
(11-[2-(4,6-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1cc(C)c2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2c1
Show InChI InChI=1S/C26H22N2O3/c1-16-11-17(2)25-23(12-16)28(15-27-25)10-9-21-20-6-4-3-5-19(20)14-31-24-8-7-18(26(29)30)13-22(21)24/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b21-9+
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3.90n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164606
PNG
((2R)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190696
PNG
((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002820
PNG
(11-[2-(2-Hydroxy-benzoimidazol-1-yl)-ethylidene]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3c4ccccc4[nH]c3=O)c2c1
Show InChI InChI=1S/C24H18N2O4/c27-23(28)15-9-10-22-19(13-15)18(17-6-2-1-5-16(17)14-30-22)11-12-26-21-8-4-3-7-20(21)25-24(26)29/h1-11,13H,12,14H2,(H,25,29)(H,27,28)/b18-11+
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4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002751
PNG
(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002751
PNG
(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
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


J Med Chem 35: 2074-84 (1992)


Article DOI: 10.1021/jm00089a020
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002772
PNG
(11-[2-(2-Hydroxy-benzoylamino)-ethylsulfanyl]-6,11...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=O)c3ccccc3O)c2c1
Show InChI InChI=1/C24H21NO5S/c26-20-8-4-3-7-18(20)23(27)25-11-12-31-22-17-6-2-1-5-16(17)14-30-21-10-9-15(24(28)29)13-19(21)22/h1-10,13,22,26H,11-12,14H2,(H,25,27)(H,28,29)
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5.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002772
PNG
(11-[2-(2-Hydroxy-benzoylamino)-ethylsulfanyl]-6,11...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=O)c3ccccc3O)c2c1
Show InChI InChI=1/C24H21NO5S/c26-20-8-4-3-7-18(20)23(27)25-11-12-31-22-17-6-2-1-5-16(17)14-30-21-10-9-15(24(28)29)13-19(21)22/h1-10,13,22,26H,11-12,14H2,(H,25,27)(H,28,29)
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5.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM714
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/s2
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5.14 -49.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002757
PNG
(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets ...


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002757
PNG
(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002782
PNG
(11-[2-(5-Chloro-benzoimidazol-1-yl)-ethylidene]-6,...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C24H17ClN2O3/c25-17-6-7-22-21(12-17)26-14-27(22)10-9-19-18-4-2-1-3-16(18)13-30-23-8-5-15(24(28)29)11-20(19)23/h1-9,11-12,14H,10,13H2,(H,28,29)/b19-9+
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6n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002770
PNG
(11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=S)NCc3ccccc3)c2c1
Show InChI InChI=1/C25H24N2O3S2/c28-24(29)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(31)27-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,28,29)(H2,26,27,31)
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002818
PNG
(11-{2-[5-(Hydroxy-phenyl-methyl)-benzoimidazol-1-y...)
Show SMILES OC(c1ccccc1)c1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1/C31H24N2O4/c34-30(20-6-2-1-3-7-20)21-10-12-28-27(17-21)32-19-33(28)15-14-25-24-9-5-4-8-23(24)18-37-29-13-11-22(31(35)36)16-26(25)29/h1-14,16-17,19,30,34H,15,18H2,(H,35,36)/b25-14+
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002801
PNG
(11-[2-(5,7-Dimethoxy-benzoimidazol-1-yl)-ethyliden...)
Show SMILES COc1cc(OC)c2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1S/C26H22N2O5/c1-31-18-12-22-25(24(13-18)32-2)28(15-27-22)10-9-20-19-6-4-3-5-17(19)14-33-23-8-7-16(26(29)30)11-21(20)23/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b20-9+
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


Article DOI: 10.1021/jm00096a017
BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002770
PNG
(11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=S)NCc3ccccc3)c2c1
Show InChI InChI=1/C25H24N2O3S2/c28-24(29)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(31)27-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,28,29)(H2,26,27,31)
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
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)


Article DOI: 10.1021/jm00089a020
BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002751
PNG
(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
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6.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002751
PNG
(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
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6.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets ...


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002758
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-9-bromo-...)
Show SMILES OC(=O)c1ccc2OCc3ccc(Br)cc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1/C23H20BrNO5S2/c24-17-8-6-16-14-30-21-9-7-15(23(26)27)12-20(21)22(19(16)13-17)31-11-10-25-32(28,29)18-4-2-1-3-5-18/h1-9,12-13,22,25H,10-11,14H2,(H,26,27)
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6.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002758
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-9-bromo-...)
Show SMILES OC(=O)c1ccc2OCc3ccc(Br)cc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1/C23H20BrNO5S2/c24-17-8-6-16-14-30-21-9-7-15(23(26)27)12-20(21)22(19(16)13-17)31-11-10-25-32(28,29)18-4-2-1-3-5-18/h1-9,12-13,22,25H,10-11,14H2,(H,26,27)
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6.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


Article DOI: 10.1021/jm00096a016
BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
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