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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'falotico' and Initial = 'r'   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035963
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)
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n/an/a 100n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226407
PNG
(CHEMBL299631 | Y-590)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)CCc2c1 |c:6|
Show InChI InChI=1S/C15H17N3O2/c1-9-7-13(19)16-17-15(9)11-3-5-12-10(8-11)4-6-14(20)18(12)2/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,19)
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n/an/a 100n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50229951
PNG
(CHEMBL49458)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)CSc2c1 |c:6|
Show InChI InChI=1S/C13H13N3O2S/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
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n/an/a 100n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228430
PNG
(Bemoradan | ORF-22867)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)COc2c1 |c:6|
Show InChI InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
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n/an/a 300n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228431
PNG
(CHEMBL49406)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)COc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O3/c1-8-5-12(18)15-16-14(8)9-3-4-10-11(6-9)20-7-13(19)17(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,15,18)
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n/an/a 300n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228430
PNG
(Bemoradan | ORF-22867)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)COc2c1 |c:6|
Show InChI InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
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n/an/a 300n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50229946
PNG
(CHEMBL52168)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)CCc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O2/c1-8-6-13(19)16-17-14(8)10-2-4-11-9(7-10)3-5-12(18)15-11/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)(H,16,19)
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n/an/a 300n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228431
PNG
(CHEMBL49406)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)COc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O3/c1-8-5-12(18)15-16-14(8)9-3-4-10-11(6-9)20-7-13(19)17(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,15,18)
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n/an/a 300n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 400n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50229948
PNG
(CHEMBL294939)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)CSc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O2S/c1-8-5-12(18)15-16-14(8)9-3-4-10-11(6-9)20-7-13(19)17(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,15,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50229952
PNG
(CHEMBL49533)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C[Se]c2c1 |c:6|
Show InChI InChI=1S/C13H13N3O2Se/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228468
PNG
(CHEMBL127258)
Show SMILES CC1CC(=O)NN=C1c1ccc2OCC(=O)Nc2c1 |c:6|
Show InChI InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-10-9(5-8)14-12(18)6-19-10/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227407
PNG
(CHEMBL28756)
Show SMILES CCOc1cc2c(C)nc(O)c(CC)c2cc1OC
Show InChI InChI=1S/C15H19NO3/c1-5-10-12-8-13(18-4)14(19-6-2)7-11(12)9(3)16-15(10)17/h7-8H,5-6H2,1-4H3,(H,16,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227409
PNG
(CHEMBL29243)
Show SMILES CCc1c(O)nc(C)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H17NO3/c1-5-9-11-7-13(18-4)12(17-3)6-10(11)8(2)15-14(9)16/h6-7H,5H2,1-4H3,(H,15,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 2.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 2.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035960
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035962
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035956
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)
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n/an/a 3.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 3.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035960
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228381
PNG
(CHEMBL124869)
Show SMILES CC1CC(=O)NN=C1c1ccc2OCCN(c2c1)S(C)(=O)=O |c:6|
Show InChI InChI=1S/C14H17N3O4S/c1-9-7-13(18)15-16-14(9)10-3-4-12-11(8-10)17(5-6-21-12)22(2,19)20/h3-4,8-9H,5-7H2,1-2H3,(H,15,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228451
PNG
(CHEMBL124587)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)Oc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O3/c1-7-5-12(18)16-17-13(7)9-3-4-10-11(6-9)20-8(2)14(19)15-10/h3-4,6-8H,5H2,1-2H3,(H,15,19)(H,16,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228454
PNG
(CHEMBL125421)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)(C)Oc2c1 |c:6|
Show InChI InChI=1S/C15H17N3O3/c1-8-6-12(19)17-18-13(8)9-4-5-10-11(7-9)21-15(2,3)14(20)16-10/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035956
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)
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n/an/a 4.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 4.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035963
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227413
PNG
(CHEMBL29186)
Show SMILES CCCc1c(O)nc(C)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C15H19NO3/c1-5-6-10-12-8-14(19-4)13(18-3)7-11(12)9(2)16-15(10)17/h7-8H,5-6H2,1-4H3,(H,16,17)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228453
PNG
(CHEMBL124636)
Show SMILES CC1CC(=O)NN=C1c1ccc2OC(C)C(=O)Nc2c1 |c:6|
Show InChI InChI=1S/C14H15N3O3/c1-7-5-12(18)16-17-13(7)9-3-4-11-10(6-9)15-14(19)8(2)20-11/h3-4,6-8H,5H2,1-2H3,(H,15,19)(H,16,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228459
PNG
(CHEMBL129524)
Show SMILES CC(C)N1C(=O)C(C)Oc2ccc(cc12)C1=NNC(=O)CC1C |t:17|
Show InChI InChI=1S/C17H21N3O3/c1-9(2)20-13-8-12(16-10(3)7-15(21)18-19-16)5-6-14(13)23-11(4)17(20)22/h5-6,8-11H,7H2,1-4H3,(H,18,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 5.50E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228457
PNG
(CHEMBL126567)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)C(C)(C)Oc2c1 |c:6|
Show InChI InChI=1S/C16H19N3O3/c1-9-7-13(20)17-18-14(9)10-5-6-11-12(8-10)22-16(2,3)15(21)19(11)4/h5-6,8-9H,7H2,1-4H3,(H,17,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228432
PNG
(CHEMBL124262)
Show SMILES CC1CC(=O)NN=C1c1ccc2OCCNc2c1 |c:6|
Show InChI InChI=1S/C13H15N3O2/c1-8-6-12(17)15-16-13(8)9-2-3-11-10(7-9)14-4-5-18-11/h2-3,7-8,14H,4-6H2,1H3,(H,15,17)
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n/an/a 6.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228429
PNG
(CHEMBL442768)
Show SMILES CC1CC(=O)NN=C1c1ccc2OC(C)C(=O)N(C)c2c1 |c:6|
Show InChI InChI=1S/C15H17N3O3/c1-8-6-13(19)16-17-14(8)10-4-5-12-11(7-10)18(3)15(20)9(2)21-12/h4-5,7-9H,6H2,1-3H3,(H,16,19)
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n/an/a 6.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50229949
PNG
(CHEMBL294914)
Show SMILES O=C1CCC(=NN1)c1ccc2NC(=O)CSc2c1 |c:4|
Show InChI InChI=1S/C12H11N3O2S/c16-11-4-3-8(14-15-11)7-1-2-9-10(5-7)18-6-12(17)13-9/h1-2,5H,3-4,6H2,(H,13,17)(H,15,16)
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n/an/a 7.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac Phosphodiesterase 3

J Med Chem 35: 172-6 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0X4D
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228246
PNG
(Indolidan)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1 |t:14|
Show InChI InChI=1S/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227405
PNG
(CHEMBL283884)
Show SMILES COc1cc2c(C)nc(O)c(C(C)C)c2cc1OC
Show InChI InChI=1S/C15H19NO3/c1-8(2)14-11-7-13(19-5)12(18-4)6-10(11)9(3)16-15(14)17/h6-8H,1-5H3,(H,16,17)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228466
PNG
(CHEMBL124386)
Show SMILES CC1CC(=O)NN=C1c1cc(C)cc2N(C)C(=O)COc12 |c:6|
Show InChI InChI=1S/C15H17N3O3/c1-8-4-10(14-9(2)6-12(19)16-17-14)15-11(5-8)18(3)13(20)7-21-15/h4-5,9H,6-7H2,1-3H3,(H,16,19)
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n/an/a 7.50E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228446
PNG
(CHEMBL125853)
Show SMILES CC1CC(=O)NN=C1c1ccc2OC(C)C(=O)N(C3CCCC3)c2c1 |c:6|
Show InChI InChI=1S/C19H23N3O3/c1-11-9-17(23)20-21-18(11)13-7-8-16-15(10-13)22(14-5-3-4-6-14)19(24)12(2)25-16/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,20,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 8.20E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50228463
PNG
(CHEMBL123668)
Show SMILES CS(=O)(=O)N1CCOc2ccc(cc12)C1=NNC(=O)CC1 |t:16|
Show InChI InChI=1S/C13H15N3O4S/c1-21(18,19)16-6-7-20-12-4-2-9(8-11(12)16)10-3-5-13(17)15-14-10/h2,4,8H,3,5-7H2,1H3,(H,15,17)
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n/an/a 9.50E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.

J Med Chem 33: 380-6 (1990)


BindingDB Entry DOI: 10.7270/Q241708F
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227410
PNG
(CHEMBL1743760)
Show SMILES Br.COc1cc2c(C)nc(O)c(Br)c2cc1OC
Show InChI InChI=1S/C12H12BrNO3/c1-6-7-4-9(16-2)10(17-3)5-8(7)11(13)12(15)14-6/h4-5H,1-3H3,(H,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035956
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50227406
PNG
(CHEMBL30162)
Show SMILES COc1cc2c(C)nc(O)c(C)c2cc1OC
Show InChI InChI=1S/C13H15NO3/c1-7-9-5-11(16-3)12(17-4)6-10(9)8(2)14-13(7)15/h5-6H,1-4H3,(H,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs

J Med Chem 31: 1363-8 (1988)


BindingDB Entry DOI: 10.7270/Q2SX6GFZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50035972
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C17H13F6N5OS/c18-16(19,20)10-3-1-2-9(6-10)12-8-30-15(27-12)28-13(17(21,22)23)11(7-26-28)14(29)25-5-4-24/h1-3,6-8H,4-5,24H2,(H,25,29)
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n/an/a 1.12E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation at 50 uM

J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
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