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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50042959   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50429537
PNG
(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433804
PNG
(CHEMBL2381888)
Show SMILES COC(=O)C1(CC1)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C27H29N3O4/c1-26(2,3)20-8-5-6-10-22(20)34-23-21(9-7-17-28-23)30-25(32)29-19-13-11-18(12-14-19)27(15-16-27)24(31)33-4/h5-14,17H,15-16H2,1-4H3,(H2,29,30,32)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433798
PNG
(CHEMBL2381894)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H37N5O2/c1-33(2,3)28-12-7-8-14-30(28)40-31-29(13-9-19-34-31)36-32(39)35-26-15-17-27(18-16-26)38-22-20-37(21-23-38)24-25-10-5-4-6-11-25/h4-19H,20-24H2,1-3H3,(H2,35,36,39)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433797
PNG
(CHEMBL2381895)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C27H32N4O2/c1-27(2,3)22-10-5-6-12-24(22)33-25-23(11-9-17-28-25)30-26(32)29-20-13-15-21(16-14-20)31-18-7-4-8-19-31/h5-6,9-17H,4,7-8,18-19H2,1-3H3,(H2,29,30,32)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433789
PNG
(CHEMBL2381904)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1F
Show InChI InChI=1S/C35H39FN4O3/c1-35(2,3)28-12-7-8-14-32(28)43-33-31(13-9-19-37-33)39-34(41)38-30-16-15-27(22-29(30)36)42-24-26-17-20-40(21-18-26)23-25-10-5-4-6-11-25/h4-16,19,22,26H,17-18,20-21,23-24H2,1-3H3,(H2,38,39,41)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433805
PNG
(CHEMBL2381887)
Show SMILES COCC1(CC1)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C27H31N3O3/c1-26(2,3)21-8-5-6-10-23(21)33-24-22(9-7-17-28-24)30-25(31)29-20-13-11-19(12-14-20)27(15-16-27)18-32-4/h5-14,17H,15-16,18H2,1-4H3,(H2,29,30,31)
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433796
PNG
(CHEMBL2381896)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1F)N1CCOCC1
Show InChI InChI=1S/C26H29FN4O3/c1-26(2,3)19-7-4-5-9-23(19)34-24-22(8-6-12-28-24)30-25(32)29-21-11-10-18(17-20(21)27)31-13-15-33-16-14-31/h4-12,17H,13-16H2,1-3H3,(H2,29,30,32)
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433785
PNG
(CHEMBL2381908)
Show SMILES CC(C)CN1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1
Show InChI InChI=1S/C32H41FN4O3/c1-22(2)20-37-17-14-23(15-18-37)21-39-24-12-13-27(26(33)19-24)35-31(38)36-28-10-8-16-34-30(28)40-29-11-7-6-9-25(29)32(3,4)5/h6-13,16,19,22-23H,14-15,17-18,20-21H2,1-5H3,(H2,35,36,38)
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30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433794
PNG
(CHEMBL2381899)
Show SMILES CN(C)Cc1cccc(c1)-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-12-6-7-14-28(24)38-29-27(13-9-17-33-29)35-30(37)34-26-16-15-23(19-25(26)32)22-11-8-10-21(18-22)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433793
PNG
(CHEMBL2381900)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-9-6-7-11-28(24)38-29-27(10-8-18-33-29)35-30(37)34-26-17-16-23(19-25(26)32)22-14-12-21(13-15-22)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433790
PNG
(CHEMBL2381903)
Show SMILES CN(C)CC(C)(C)COc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C29H37FN4O3/c1-28(2,3)21-11-8-9-13-25(21)37-26-24(12-10-16-31-26)33-27(35)32-23-15-14-20(17-22(23)30)36-19-29(4,5)18-34(6)7/h8-17H,18-19H2,1-7H3,(H2,32,33,35)
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52n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433801
PNG
(CHEMBL2381891)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1F)-c1ccccc1CO
Show InChI InChI=1S/C29H28FN3O3/c1-29(2,3)22-11-6-7-13-26(22)36-27-25(12-8-16-31-27)33-28(35)32-24-15-14-19(17-23(24)30)21-10-5-4-9-20(21)18-34/h4-17,34H,18H2,1-3H3,(H2,32,33,35)
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54n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433786
PNG
(CHEMBL2381907)
Show SMILES CC(C)CN1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C32H42N4O3/c1-23(2)21-36-19-16-24(17-20-36)22-38-26-14-12-25(13-15-26)34-31(37)35-28-10-8-18-33-30(28)39-29-11-7-6-9-27(29)32(3,4)5/h6-15,18,23-24H,16-17,19-22H2,1-5H3,(H2,34,35,37)
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87n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433787
PNG
(CHEMBL2381906)
Show SMILES CC(C)CCN1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1
Show InChI InChI=1S/C33H43FN4O3/c1-23(2)14-18-38-19-15-24(16-20-38)22-40-25-12-13-28(27(34)21-25)36-32(39)37-29-10-8-17-35-31(29)41-30-11-7-6-9-26(30)33(3,4)5/h6-13,17,21,23-24H,14-16,18-20,22H2,1-5H3,(H2,36,37,39)
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121n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433792
PNG
(CHEMBL2381901)
Show SMILES CN(C)CC(C)(C)COc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C29H38N4O3/c1-28(2,3)23-11-8-9-13-25(23)36-26-24(12-10-18-30-26)32-27(34)31-21-14-16-22(17-15-21)35-20-29(4,5)19-33(6)7/h8-18H,19-20H2,1-7H3,(H2,31,32,34)
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137n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433791
PNG
(CHEMBL2381902)
Show SMILES CN(C)CC(C)(C)COc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2[Si](C)(C)C)cc1
Show InChI InChI=1S/C28H38N4O3Si/c1-28(2,19-32(3)4)20-34-22-16-14-21(15-17-22)30-27(33)31-23-11-10-18-29-26(23)35-24-12-8-9-13-25(24)36(5,6)7/h8-18H,19-20H2,1-7H3,(H2,30,31,33)
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163n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433803
PNG
(CHEMBL2381889)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C1(CO)CC1
Show InChI InChI=1S/C26H29N3O3/c1-25(2,3)20-7-4-5-9-22(20)32-23-21(8-6-16-27-23)29-24(31)28-19-12-10-18(11-13-19)26(17-30)14-15-26/h4-13,16,30H,14-15,17H2,1-3H3,(H2,28,29,31)
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176n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433795
PNG
(CHEMBL2381897)
Show SMILES CN(C)Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C25H29FN4O2/c1-25(2,3)18-9-6-7-11-22(18)32-23-21(10-8-14-27-23)29-24(31)28-20-13-12-17(15-19(20)26)16-30(4)5/h6-15H,16H2,1-5H3,(H2,28,29,31)
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322n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433799
PNG
(CHEMBL2381893)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C27H33N5O2/c1-27(2,3)22-8-5-6-10-24(22)34-25-23(9-7-15-28-25)30-26(33)29-20-11-13-21(14-12-20)32-18-16-31(4)17-19-32/h5-15H,16-19H2,1-4H3,(H2,29,30,33)
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592n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433788
PNG
(CHEMBL2381905)
Show SMILES CC(C)N1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1
Show InChI InChI=1S/C31H39FN4O3/c1-21(2)36-17-14-22(15-18-36)20-38-23-12-13-26(25(32)19-23)34-30(37)35-27-10-8-16-33-29(27)39-28-11-7-6-9-24(28)31(3,4)5/h6-13,16,19,21-22H,14-15,17-18,20H2,1-5H3,(H2,34,35,37)
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989n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433802
PNG
(CHEMBL2381890)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C1(CN2CCCC2)CC1
Show InChI InChI=1S/C30H36N4O2/c1-29(2,3)24-9-4-5-11-26(24)36-27-25(10-8-18-31-27)33-28(35)32-23-14-12-22(13-15-23)30(16-17-30)21-34-19-6-7-20-34/h4-5,8-15,18H,6-7,16-17,19-21H2,1-3H3,(H2,32,33,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433800
PNG
(CHEMBL2381892)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H31N5O2/c1-26(2,3)21-7-4-5-9-23(21)33-24-22(8-6-14-28-24)30-25(32)29-19-10-12-20(13-11-19)31-17-15-27-16-18-31/h4-14,27H,15-18H2,1-3H3,(H2,29,30,32)
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8.04E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-7a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>2.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-10a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y12 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>5.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-11a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair