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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'go' and Initial = 'hj'   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231553
PNG
(CHEMBL1203032)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H28N4O4S/c30-25-27-23-16-19-15-20(7-8-22(19)26-24(23)28-25)33-13-4-14-34(31,32)21-9-11-29(12-10-21)17-18-5-2-1-3-6-18/h1-3,5-8,15-16,21H,4,9-14,17H2,(H2,26,27,28,30)
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n/an/a 0.630n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231339
PNG
(CHEMBL1203039)
Show SMILES Cl.CCC(CC)CN1CCC(CC1)n1nnnc1CCCOc1ccc2[nH]c3nc(O)nc3cc2c1
Show InChI InChI=1S/C25H34N8O2/c1-3-17(4-2)16-32-11-9-19(10-12-32)33-23(29-30-31-33)6-5-13-35-20-7-8-21-18(14-20)15-22-24(26-21)28-25(34)27-22/h7-8,14-15,17,19H,3-6,9-13,16H2,1-2H3,(H2,26,27,28,34)
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n/an/a 0.810n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231400
PNG
(CHEMBL1203053)
Show SMILES Cl.Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C26H34N8O2/c35-26-28-23-16-19-15-21(8-9-22(19)27-25(23)29-26)36-14-4-7-24-30-31-32-34(24)20-10-12-33(13-11-20)17-18-5-2-1-3-6-18/h8-9,15-16,18,20H,1-7,10-14,17H2,(H2,27,28,29,35)
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n/an/a 0.810n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231552
PNG
(CHEMBL1203031)
Show SMILES Cl.Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C26H28N8O2/c35-26-28-23-16-19-15-21(8-9-22(19)27-25(23)29-26)36-14-4-7-24-30-31-32-34(24)20-10-12-33(13-11-20)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H2,27,28,29,35)
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n/an/a 0.840n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231396
PNG
(CHEMBL1203034)
Show SMILES Cl.Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C26H27FN8O2/c27-19-5-3-17(4-6-19)16-34-11-9-20(10-12-34)35-24(31-32-33-35)2-1-13-37-21-7-8-22-18(14-21)15-23-25(28-22)30-26(36)29-23/h3-8,14-15,20H,1-2,9-13,16H2,(H2,28,29,30,36)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231537
PNG
(CHEMBL1203019)
Show SMILES Cl.Oc1nc2cc3cc(OCCCNC(=O)N4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H34N6O3/c32-24-28-22-16-19-15-20(7-8-21(19)27-23(22)29-24)34-14-4-9-26-25(33)31-12-10-30(11-13-31)17-18-5-2-1-3-6-18/h7-8,15-16,18H,1-6,9-14,17H2,(H,26,33)(H2,27,28,29,32)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231546
PNG
(CHEMBL1203024)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H34N4O4S/c30-25-27-23-16-19-15-20(7-8-22(19)26-24(23)28-25)33-13-4-14-34(31,32)21-9-11-29(12-10-21)17-18-5-2-1-3-6-18/h7-8,15-16,18,21H,1-6,9-14,17H2,(H2,26,27,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231551
PNG
(CHEMBL1203086)
Show SMILES Cl.CCC(CC)CN1CCC(CC1)S(=O)(=O)CCCOc1ccc2[nH]c3nc(O)nc3cc2c1
Show InChI InChI=1S/C24H34N4O4S/c1-3-17(4-2)16-28-10-8-20(9-11-28)33(30,31)13-5-12-32-19-6-7-21-18(14-19)15-22-23(25-21)27-24(29)26-22/h6-7,14-15,17,20H,3-5,8-13,16H2,1-2H3,(H2,25,26,27,29)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231560
PNG
(CHEMBL1203083)
Show SMILES Cl.Oc1nc2cc3cc(OCCCNC(=O)N4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H28N6O3/c32-24-28-22-16-19-15-20(7-8-21(19)27-23(22)29-24)34-14-4-9-26-25(33)31-12-10-30(11-13-31)17-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14,17H2,(H,26,33)(H2,27,28,29,32)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231511
PNG
(CHEMBL1203063)
Show SMILES Cl.CCC(CC)CN1CCN(CC1)C(=O)NCCCOc1ccc2[nH]c3nc(O)nc3cc2c1
Show InChI InChI=1S/C24H34N6O3/c1-3-17(4-2)16-29-9-11-30(12-10-29)24(32)25-8-5-13-33-19-6-7-20-18(14-19)15-21-22(26-20)28-23(31)27-21/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,25,32)(H2,26,27,28,31)
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231541
PNG
(CHEMBL1203069)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)N4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C24H33N5O4S/c30-24-26-22-16-19-15-20(7-8-21(19)25-23(22)27-24)33-13-4-14-34(31,32)29-11-9-28(10-12-29)17-18-5-2-1-3-6-18/h7-8,15-16,18H,1-6,9-14,17H2,(H2,25,26,27,30)
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n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231465
PNG
(CHEMBL1203057)
Show SMILES Cl.Oc1nc2cc3cc(OCCCNC(=O)N4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H27FN6O3/c26-19-4-2-17(3-5-19)16-31-9-11-32(12-10-31)25(34)27-8-1-13-35-20-6-7-21-18(14-20)15-22-23(28-21)30-24(33)29-22/h2-7,14-15H,1,8-13,16H2,(H,27,34)(H2,28,29,30,33)
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231463
PNG
(CHEMBL1203091)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C24H26FN5O4S/c25-19-4-2-17(3-5-19)16-29-8-10-30(11-9-29)35(32,33)13-1-12-34-20-6-7-21-18(14-20)15-22-23(26-21)28-24(31)27-22/h2-7,14-15H,1,8-13,16H2,(H2,26,27,28,31)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231517
PNG
(CHEMBL1203068)
Show SMILES Cl.CCC(CC)CN1CCN(CC1)S(=O)(=O)CCCOc1ccc2[nH]c3nc(O)nc3cc2c1
Show InChI InChI=1S/C23H33N5O4S/c1-3-17(4-2)16-27-8-10-28(11-9-27)33(30,31)13-5-12-32-19-6-7-20-18(14-19)15-21-22(24-20)26-23(29)25-21/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H2,24,25,26,29)
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n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231464
PNG
(CHEMBL1203092)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)N4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C24H27N5O4S/c30-24-26-22-16-19-15-20(7-8-21(19)25-23(22)27-24)33-13-4-14-34(31,32)29-11-9-28(10-12-29)17-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14,17H2,(H2,25,26,27,30)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50231555
PNG
(CHEMBL1203084)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H27FN4O4S/c26-19-4-2-17(3-5-19)16-30-10-8-21(9-11-30)35(32,33)13-1-12-34-20-6-7-22-18(14-20)15-23-24(27-22)29-25(31)28-23/h2-7,14-15,21H,1,8-13,16H2,(H2,27,28,29,31)
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n/an/a>10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human blood platelet c-AMP phosphodiesterase


J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065348
PNG
((1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CCC12 |t:14|
Show InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17?,20+,21-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065336
PNG
((1S,4aS,5R)-1,4a-Dimethyl-6-oxo-5-[2-(2-oxo-2,5-di...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=O)CCC12 |t:14|
Show InChI InChI=1S/C20H28O5/c1-19-10-4-11-20(2,18(23)24-3)16(19)8-7-15(21)14(19)6-5-13-9-12-25-17(13)22/h9,14,16H,4-8,10-12H2,1-3H3/t14-,16?,19+,20-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065344
PNG
(CHEMBL89088 | methyl 5,8a-dimethyl-1-[2-(2-oxo-2,5...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@]3(CO3)CCC12 |t:14|
Show InChI InChI=1S/C21H30O5/c1-19-9-4-10-20(2,18(23)24-3)15(19)7-11-21(13-26-21)16(19)6-5-14-8-12-25-17(14)22/h8,15-16H,4-7,9-13H2,1-3H3/t15?,16-,19+,20+,21+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065343
PNG
((1S,4aR,5S,6S)-6-Hydroxymethyl-1,4a-dimethyl-5-[2-...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@H](CO)CCC12 |t:14|
Show InChI InChI=1S/C21H32O5/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,15-17,22H,4-8,10-13H2,1-3H3/t15-,16+,17?,20-,21+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065347
PNG
(3-[2-((1S,5S,8aR)-5-Methoxymethyl-5,8a-dimethyl-2-...)
Show SMILES COC[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CCC12 |t:13|
Show InChI InChI=1S/C21H32O3/c1-15-6-9-18-20(2,14-23-4)11-5-12-21(18,3)17(15)8-7-16-10-13-24-19(16)22/h10,17-18H,1,5-9,11-14H2,2-4H3/t17-,18?,20+,21+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065339
PNG
((1S,4aS)-6-Formyl-1,4a-dimethyl-5-[2-(2-oxo-2,5-di...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(C=O)=C2CCC1=CCOC1=O |c:17,t:22|
Show InChI InChI=1S/C21H28O5/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,13,17H,4-8,10-12H2,1-3H3/t17?,20-,21+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065352
PNG
((1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3CCOC3=O)C(=C)CCC12
Show InChI InChI=1S/C21H32O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h15-17H,1,5-13H2,2-4H3/t15?,16-,17?,20+,21-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065335
PNG
((1S,4aS,5R,6S)-6-Hydroxy-1,4a-dimethyl-5-[2-(2-oxo...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@H](O)CCC12 |t:14|
Show InChI InChI=1S/C20H30O5/c1-19-10-4-11-20(2,18(23)24-3)16(19)8-7-15(21)14(19)6-5-13-9-12-25-17(13)22/h9,14-16,21H,4-8,10-12H2,1-3H3/t14-,15-,16?,19+,20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065342
PNG
((1S,4aS,5R)-1,4a-Dimethyl-6-oxo-5-[2-(2-oxo-tetrah...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3CCOC3=O)C(=O)CCC12
Show InChI InChI=1S/C20H30O5/c1-19-10-4-11-20(2,18(23)24-3)16(19)8-7-15(21)14(19)6-5-13-9-12-25-17(13)22/h13-14,16H,4-12H2,1-3H3/t13?,14-,16?,19+,20-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065333
PNG
(6-Hydroxymethyl-1,4a-dimethyl-5-[2-(2-oxo-2,5-dihy...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(CO)=C2CCC1=CCOC1=O |c:17,t:22|
Show InChI InChI=1S/C21H30O5/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,17,22H,4-8,10-13H2,1-3H3/t17?,20-,21+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065345
PNG
((1S,4aR,5S)-1,4a,6-Trimethyl-5-[2-(2-oxo-tetrahydr...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3CCOC3=O)C(C)CCC12
Show InChI InChI=1S/C21H34O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h14-17H,5-13H2,1-4H3/t14?,15?,16-,17?,20+,21-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065346
PNG
((1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(5-oxo-...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CCC12 |t:14|
Show InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,10-5-11-21(17,3)19(23)24-4)16(14)8-7-15-12-18(22)25-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17?,20+,21-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065341
PNG
((1R,6S,9aS)-6,9a-Dimethyl-3-oxo-1-[2-(5-oxo-2,5-di...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)O[C@@H]2CCC1=CC(=O)OC1 |t:22|
Show InChI InChI=1S/C20H28O6/c1-19-9-4-10-20(2,18(23)24-3)14(19)6-8-16(21)26-15(19)7-5-13-11-17(22)25-12-13/h11,14-15H,4-10,12H2,1-3H3/t14?,15-,19+,20+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065337
PNG
((1S,4aR,5S)-5-((Z)-5-Hydroxy-3-hydroxymethyl-pent-...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC\C(CO)=C\CO)C(=C)CCC12
Show InChI InChI=1S/C21H34O4/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(24)25-4)17(15)8-7-16(14-23)10-13-22/h10,17-18,22-23H,1,5-9,11-14H2,2-4H3/b16-10-/t17-,18?,20+,21-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065351
PNG
((Z)-2-[2-((1S,5S,8aR)-5-Hydroxymethyl-5,8a-dimethy...)
Show SMILES C[C@]1(CO)CCC[C@]2(C)[C@@H](CC\C(CO)=C\CO)C(=C)CCC12
Show InChI InChI=1S/C20H34O3/c1-15-5-8-18-19(2,14-23)10-4-11-20(18,3)17(15)7-6-16(13-22)9-12-21/h9,17-18,21-23H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18?,19+,20+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065350
PNG
((1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-...)
Show SMILES C[C@]12CCC[C@@](C)(C1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O |t:17|
Show InChI InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16?,19+,20-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065338
PNG
(3-[2-((1S,5S,8aR)-5-Hydroxymethyl-5,8a-dimethyl-2-...)
Show SMILES C[C@]1(CO)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CCC12 |t:12|
Show InChI InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17?,19+,20+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50613929
PNG
(CHEMBL5270848)
Show SMILES OC(=O)c1c(Nc2cccc(F)c2)[nH]c2cc(Cl)ccc2c1=O
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065349
PNG
(4-[2-((1S,5S,8aR)-5-Hydroxymethyl-5,8a-dimethyl-2-...)
Show SMILES C[C@]1(CO)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CCC12 |t:12|
Show InChI InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)9-4-10-20(17,3)16(14)7-6-15-11-18(22)23-12-15/h11,16-17,21H,1,4-10,12-13H2,2-3H3/t16-,17?,19+,20+/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065340
PNG
((1S,4aR,5S)-5-(2-Furan-3-yl-ethyl)-1,4a-dimethyl-6...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12
Show InChI InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18?,20+,21-/m0/s1
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Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50065334
PNG
((1S,4aS,5R,6R)-6-Hydroxy-6-hydroxymethyl-1,4a-dime...)
Show SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)[C@@](O)(CO)CCC12 |t:14|
Show InChI InChI=1S/C21H32O6/c1-19-9-4-10-20(2,18(24)26-3)15(19)7-11-21(25,13-22)16(19)6-5-14-8-12-27-17(14)23/h8,15-16,22,25H,4-7,9-13H2,1-3H3/t15?,16-,19+,20+,21+/m1/s1
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Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against PAF receptor using [3H]-PAF as radioligand in rabbit platelets


J Med Chem 41: 2626-30 (1998)


Article DOI: 10.1021/jm970569j
BindingDB Entry DOI: 10.7270/Q2BG2N4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50456020
PNG
(CHEMBL2368531)
Show SMILES [Li+].[O-]C(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCN1CCCCC1 |THB:20:19:18:16.15,12:13:18:16.15|
Show InChI InChI=1S/C29H39N3O5.Li/c33-26(34)13-10-20-8-2-3-9-21(20)18-22-24-11-12-25(37-24)27(22)29-31-23(19-36-29)28(35)30-14-4-7-17-32-15-5-1-6-16-32;/h2-3,8-9,19,22,24-25,27H,1,4-7,10-18H2,(H,30,35)(H,33,34);/q;+1/p-1
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n/an/an/a 22n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047265
PNG
(3-(2-{3-[4-(5-Hydroxy-pentylcarbamoyl)-oxazol-2-yl...)
Show SMILES OCCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:12:14:19:16.17,21:20:19:16.17|
Show InChI InChI=1S/C25H32N2O6/c28-13-5-1-4-12-26-24(31)19-15-32-25(27-19)23-18(20-9-10-21(23)33-20)14-17-7-3-2-6-16(17)8-11-22(29)30/h2-3,6-7,15,18,20-21,23,28H,1,4-5,8-14H2,(H,26,31)(H,29,30)
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n/an/an/a 20n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047266
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H40N2O5/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,31,35)(H,33,34)
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n/an/an/a 0.100n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047267
PNG
(2-{3-[2-(3-Hydroxy-propyl)-benzyl]-7-oxa-bicyclo[2...)
Show SMILES OCCCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C30H42N2O4/c33-18-8-14-22-12-4-5-13-23(22)19-24-26-15-16-27(36-26)28(24)30-32-25(20-35-30)29(34)31-17-7-6-11-21-9-2-1-3-10-21/h4-5,12-13,20-21,24,26-28,33H,1-3,6-11,14-19H2,(H,31,34)
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n/an/an/a 112n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047268
PNG
(3-(2-{3-[4-(4-Cyclohexylcarbamoyl-butylcarbamoyl)-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC(=O)NC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C31H41N3O6/c35-27(33-22-10-2-1-3-11-22)12-6-7-17-32-30(38)24-19-39-31(34-24)29-23(25-14-15-26(29)40-25)18-21-9-5-4-8-20(21)13-16-28(36)37/h4-5,8-9,19,22-23,25-26,29H,1-3,6-7,10-18H2,(H,32,38)(H,33,35)(H,36,37)
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n/an/an/a 22n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047270
PNG
(3-[2-(3-{4-[4-(4-Methoxy-phenyl)-butylcarbamoyl]-o...)
Show SMILES COc1ccc(CCCCNC(=O)c2coc(n2)C2C3CCC(O3)C2Cc2ccccc2CCC(O)=O)cc1 |THB:16:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C31H36N2O6/c1-37-23-12-9-20(10-13-23)6-4-5-17-32-30(36)25-19-38-31(33-25)29-24(26-14-15-27(29)39-26)18-22-8-3-2-7-21(22)11-16-28(34)35/h2-3,7-10,12-13,19,24,26-27,29H,4-6,11,14-18H2,1H3,(H,32,36)(H,34,35)
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n/an/an/a 0.300n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047269
PNG
(3-(2-{3-[4-(5,5,5-Trifluoro-pentylcarbamoyl)-oxazo...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC(F)(F)F |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C25H29F3N2O5/c26-25(27,28)11-3-4-12-29-23(33)18-14-34-24(30-18)22-17(19-8-9-20(22)35-19)13-16-6-2-1-5-15(16)7-10-21(31)32/h1-2,5-6,14,17,19-20,22H,3-4,7-13H2,(H,29,33)(H,31,32)
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n/an/an/a 4.80n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047271
PNG
(3-{2-[3-(4-tert-Butylcarbamoyl-oxazol-2-yl)-7-oxa-...)
Show SMILES CC(C)(C)NC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:10:12:17:14.15,19:18:17:14.15|
Show InChI InChI=1S/C24H30N2O5/c1-24(2,3)26-22(29)17-13-30-23(25-17)21-16(18-9-10-19(21)31-18)12-15-7-5-4-6-14(15)8-11-20(27)28/h4-7,13,16,18-19,21H,8-12H2,1-3H3,(H,26,29)(H,27,28)
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n/an/an/a 19n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047272
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES CC(C)(Cc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1)C(O)=O |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C32H44N2O5/c1-32(2,31(36)37)19-23-14-7-6-13-22(23)18-24-26-15-16-27(39-26)28(24)30-34-25(20-38-30)29(35)33-17-9-8-12-21-10-4-3-5-11-21/h6-7,13-14,20-21,24,26-28H,3-5,8-12,15-19H2,1-2H3,(H,33,35)(H,36,37)
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n/an/an/a 36n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047273
PNG
(2-{3-[2-(2-Carboxy-ethyl)-benzyl]-7-oxa-bicyclo[2....)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)OCCCCC1CCCCC1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C30H39NO6/c32-27(33)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)29-31-24(19-36-29)30(34)35-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,32,33)
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n/an/an/a 1n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047275
PNG
(3-{2-[3-(4-Methylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:7:9:14:11.12,16:15:14:11.12|
Show InChI InChI=1S/C21H24N2O5/c1-22-20(26)15-11-27-21(23-15)19-14(16-7-8-17(19)28-16)10-13-5-3-2-4-12(13)6-9-18(24)25/h2-5,11,14,16-17,19H,6-10H2,1H3,(H,22,26)(H,24,25)
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n/an/an/a 45n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047274
PNG
(3-{2-[3-(4-Pentylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |TLB:20:19:18:15.16,THB:11:13:18:15.16|
Show InChI InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)
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n/an/an/a 4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047276
PNG
(3-(2-{3-[4-(Methyl-pentyl-carbamoyl)-oxazol-2-yl]-...)
Show SMILES CCCCCN(C)C(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:12:14:19:16.17,21:20:19:16.17|
Show InChI InChI=1S/C26H34N2O5/c1-3-4-7-14-28(2)26(31)20-16-32-25(27-20)24-19(21-11-12-22(24)33-21)15-18-9-6-5-8-17(18)10-13-23(29)30/h5-6,8-9,16,19,21-22,24H,3-4,7,10-15H2,1-2H3,(H,29,30)
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n/an/an/a 11n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
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