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Compile Data Set for Download or QSAR

Found 1114 hits with Last Name = 'pearce' and Initial = 'bc'   
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after ...


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000927
PNG
(CHEMBL88108 | {Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H...)
Show SMILES OC(=O)CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c27-19(26(13-20(28)29)15-5-2-1-3-6-15)7-4-10-31-16-8-9-17-14(11-16)12-18-21(23-17)25-22(30)24-18/h8-9,11-12,15H,1-7,10,13H2,(H,28,29)(H2,23,24,25,30)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000915
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000900
PNG
(CHEMBL90804 | {Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H...)
Show SMILES COC(=O)CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H28N4O5/c1-31-21(29)14-27(16-6-3-2-4-7-16)20(28)8-5-11-32-17-9-10-18-15(12-17)13-19-22(24-18)26-23(30)25-19/h9-10,12-13,16H,2-8,11,14H2,1H3,(H2,24,25,26,30)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000909
PNG
(7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C20H19N3O4S/c24-20-22-18-13-14-12-15(8-9-17(14)21-19(18)23-20)27-10-4-5-11-28(25,26)16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,22,23,24)
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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 platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000933
PNG
(CHEMBL92264 | N-Adamantan-1-yl-4-(2-oxo-2,3-dihydr...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C24H28N4O3/c29-21(28-24-11-14-6-15(12-24)8-16(7-14)13-24)2-1-5-31-18-3-4-19-17(9-18)10-20-22(25-19)27-23(30)26-20/h3-4,9-10,14-16H,1-2,5-8,11-13H2,(H,28,29)(H2,25,26,27,30)/t14-,15+,16-,24?
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000868
PNG
(CHEMBL88444 | {Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H...)
Show SMILES CCOC(=O)CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C24H30N4O5/c1-2-32-22(30)15-28(17-7-4-3-5-8-17)21(29)9-6-12-33-18-10-11-19-16(13-18)14-20-23(25-19)27-24(31)26-20/h10-11,13-14,17H,2-9,12,15H2,1H3,(H2,25,26,27,31)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000892
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H28N4O3/c1-26(16-7-3-2-4-8-16)20(27)9-5-6-12-29-17-10-11-18-15(13-17)14-19-21(23-18)25-22(28)24-19/h10-11,13-14,16H,2-9,12H2,1H3,(H2,23,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000870
PNG
(7-(3-Benzenesulfonyl-propoxy)-1,3-dihydro-imidazo[...)
Show SMILES O=c1[nH]c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C19H17N3O4S/c23-19-21-17-12-13-11-14(7-8-16(13)20-18(17)22-19)26-9-4-10-27(24,25)15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10H2,(H2,20,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000910
PNG
(6-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCC1)C(=O)CCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-5-9-17)21(28)10-6-3-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000878
PNG
(7-[3-(1H-Tetrazol-5-yl)-propoxy]-1,3-dihydro-imida...)
Show SMILES O=c1[nH]c2cc3cc(OCCCc4nnn[nH]4)ccc3nc2[nH]1
Show InChI InChI=1S/C14H13N7O2/c22-14-16-11-7-8-6-9(3-4-10(8)15-13(11)17-14)23-5-1-2-12-18-20-21-19-12/h3-4,6-7H,1-2,5H2,(H2,15,16,17,22)(H,18,19,20,21)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000879
PNG
(7-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-1,3-d...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3nc2[nH]1
Show InChI InChI=1S/C21H25N7O2/c29-21-23-18-13-14-12-16(9-10-17(14)22-20(18)24-21)30-11-5-4-8-19-25-26-27-28(19)15-6-2-1-3-7-15/h9-10,12-13,15H,1-8,11H2,(H2,22,23,24,29)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000873
PNG
(6-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES OC(=O)CCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C16H17N3O4/c20-14(21)4-2-1-3-7-23-11-5-6-12-10(8-11)9-13-15(17-12)19-16(22)18-13/h5-6,8-9H,1-4,7H2,(H,20,21)(H2,17,18,19,22)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000886
PNG
(4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES OC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C14H13N3O4/c18-12(19)2-1-5-21-9-3-4-10-8(6-9)7-11-13(15-10)17-14(20)16-11/h3-4,6-7H,1-2,5H2,(H,18,19)(H2,15,16,17,20)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000875
PNG
(1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c1-2-30-21(28)14-7-9-26(10-8-14)19(27)4-3-11-31-16-5-6-17-15(12-16)13-18-20(23-17)25-22(29)24-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,23,24,25,29)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000889
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES OC(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C15H15N3O4/c19-13(20)3-1-2-6-22-10-4-5-11-9(7-10)8-12-14(16-11)18-15(21)17-12/h4-5,7-8H,1-3,6H2,(H,19,20)(H2,16,17,18,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000918
PNG
(7-(4-Hydroxy-butoxy)-1,3-dihydro-imidazo[4,5-b]qui...)
Show SMILES OCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C14H15N3O3/c18-5-1-2-6-20-10-3-4-11-9(7-10)8-12-13(15-11)17-14(19)16-12/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000876
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES O=C(CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C25H30N4O2/c30-22(29-25-12-16-7-17(13-25)9-18(8-16)14-25)4-2-1-3-15-5-6-20-19(10-15)11-21-23(26-20)28-24(31)27-21/h5-6,10-11,16-18H,1-4,7-9,12-14H2,(H,29,30)(H2,26,27,28,31)/t16-,17+,18-,25?
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000907
PNG
(4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES O=c1[nH]c2cc3cc(OCCCC#N)ccc3nc2[nH]1
Show InChI InChI=1S/C14H12N4O2/c15-5-1-2-6-20-10-3-4-11-9(7-10)8-12-13(16-11)18-14(19)17-12/h3-4,7-8H,1-2,6H2,(H2,16,17,18,19)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000888
PNG
(CHEMBL90168 | N-Methyl-4-(2-oxo-2,3-dihydro-1H-imi...)
Show SMILES CNC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C15H16N4O3/c1-16-13(20)3-2-6-22-10-4-5-11-9(7-10)8-12-14(17-11)19-15(21)18-12/h4-5,7-8H,2-3,6H2,1H3,(H,16,20)(H2,17,18,19,21)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000919
PNG
(4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES NC(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C14H14N4O3/c15-12(19)2-1-5-21-9-3-4-10-8(6-9)7-11-13(16-10)18-14(20)17-11/h3-4,6-7H,1-2,5H2,(H2,15,19)(H2,16,17,18,20)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000882
PNG
(7-(3-Hydroxy-propoxy)-1,3-dihydro-imidazo[4,5-b]qu...)
Show SMILES OCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C13H13N3O3/c17-4-1-5-19-9-2-3-10-8(6-9)7-11-12(14-10)16-13(18)15-11/h2-3,6-7,17H,1,4-5H2,(H2,14,15,16,18)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000899
PNG
(CHEMBL93688 | N-Cycloheptyl-4-(2-oxo-2,3-dihydro-1...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC1CCCCCC1
Show InChI InChI=1S/C21H26N4O3/c26-19(22-15-6-3-1-2-4-7-15)8-5-11-28-16-9-10-17-14(12-16)13-18-20(23-17)25-21(27)24-18/h9-10,12-13,15H,1-8,11H2,(H,22,26)(H2,23,24,25,27)
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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 platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000925
PNG
(7,8-Dimethyl-1,3-dihydro-imidazo[4,5-b]quinolin-2-...)
Show SMILES Cc1ccc2nc3[nH]c(=O)[nH]c3cc2c1C
Show InChI InChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000943
PNG
(7-[4-(1H-Tetrazol-5-yl)-butoxy]-1,3-dihydro-imidaz...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCc4nnn[nH]4)ccc3nc2[nH]1
Show InChI InChI=1S/C15H15N7O2/c23-15-17-12-8-9-7-10(4-5-11(9)16-14(12)18-15)24-6-2-1-3-13-19-21-22-20-13/h4-5,7-8H,1-3,6H2,(H2,16,17,18,23)(H,19,20,21,22)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302443
PNG
(N5-Cyclopentyl-2-(3- fluorophenyl)-6,7- dihydropyr...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCC1
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Bristol-Myers Squibb Company

US Patent




US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302443
PNG
(N5-Cyclopentyl-2-(3- fluorophenyl)-6,7- dihydropyr...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCC1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302444
PNG
(N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302444
PNG
(N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302447
PNG
(2-(3-Fluorophenyl)-N5- (1,1,1-trifluoro-2- methylp...)
Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)F
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302450
PNG
(2-(3-Fluorophenyl)-N5- (4-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302450
PNG
(2-(3-Fluorophenyl)-N5- (4-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302451
PNG
(2-(3-Fluorophenyl)-N5- (2-(4-fluorophenyl) propan-...)
Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)c1ccc(F)cc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302453
PNG
(N5-(Adamantan-2-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:23:31:26.27.29,28:27:22.23.24:31,THB:21:22:31:26.27.29,26:25:22:28.27.29,26:27:22:24.25.31,(-2.46,1.95,;-1.37,3.04,;-1.77,4.52,;.12,2.64,;.59,1.17,;-.18,-.16,;.59,-1.49,;2.13,-1.49,;2.9,-.16,;2.13,1.17,;2.61,2.64,;1.36,3.54,;1.36,5.08,;.03,5.85,;.03,7.39,;1.36,8.16,;2.7,7.39,;4.03,8.16,;2.7,5.85,;-.18,-2.83,;-1.72,-2.83,;.59,-4.16,;-.18,-5.5,;-1.72,-5.5,;-2.49,-6.83,;-1.72,-8.16,;-3.26,-8.16,;-4.03,-6.83,;-3.26,-5.5,;-.74,-7.6,;.59,-6.83,;-.18,-8.16,)|
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302453
PNG
(N5-(Adamantan-2-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:23:31:26.27.29,28:27:22.23.24:31,THB:21:22:31:26.27.29,26:25:22:28.27.29,26:27:22:24.25.31,(-2.46,1.95,;-1.37,3.04,;-1.77,4.52,;.12,2.64,;.59,1.17,;-.18,-.16,;.59,-1.49,;2.13,-1.49,;2.9,-.16,;2.13,1.17,;2.61,2.64,;1.36,3.54,;1.36,5.08,;.03,5.85,;.03,7.39,;1.36,8.16,;2.7,7.39,;4.03,8.16,;2.7,5.85,;-.18,-2.83,;-1.72,-2.83,;.59,-4.16,;-.18,-5.5,;-1.72,-5.5,;-2.49,-6.83,;-1.72,-8.16,;-3.26,-8.16,;-4.03,-6.83,;-3.26,-5.5,;-.74,-7.6,;.59,-6.83,;-.18,-8.16,)|
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302455
PNG
(2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302455
PNG
(2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302456
PNG
(N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27|
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302456
PNG
(N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27|
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302457
PNG
(2-(3-Fluorophenyl)-N5- ((2R,5S)-octahydro-2,5- met...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC1CC(C2)C3 |TLB:25:24:26.27:29,THB:25:26:30.24.23:29,27:28:23:26.25,27:26:23:30.28.29|
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302459
PNG
(2-(3-Fluorophenyl)-N5- (2-phenylpropan-2-yl)- 6,7-...)
Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)c1ccccc1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302463
PNG
(N5-(3,4-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302465
PNG
(N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1
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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302465
PNG
(N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1
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BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302467
PNG
(N5-(5-Chloro-2- fluorophenyl)-2-(3- fluorophenyl)-...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1F
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BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302468
PNG
(N5-(2-Chloro-5- (trifluoromethyl)phenyl)- 2-(3-flu...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
PDB

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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I epsilon


(Homo sapiens (Human))
BDBM302469
PNG
(N5-(4-Chloro-3- (trifluoromethyl)phenyl)- 2-(3-flu...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
PDB

KEGG

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BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Homo sapiens (Human))
BDBM302469
PNG
(N5-(4-Chloro-3- (trifluoromethyl)phenyl)- 2-(3-flu...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

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US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
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