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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'sedlock' and Initial = 'dm'   
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
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50478562
PNG
(CHEMBL502491)
Show SMILES [H][C@]12[C@]3([H])C=C(CO)C[C@]4(OC)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C |r,c:15,t:4|
Show InChI InChI=1S/C37H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-30(40)44-33-25(3)36(42)28(31-34(5,6)37(31,33)45-26(4)39)21-27(23-38)22-35(43-7)29(36)20-24(2)32(35)41/h20-21,25,28-29,31,33,38,42H,8-19,22-23H2,1-7H3/t25-,28+,29-,31-,33-,35-,36-,37-/m1/s1
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 500n/an/an/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Displacement of radiolabeled PDBU from PKC in rat forebrain

J Nat Prod 54: 1440-3


Article DOI: 10.1021/np50077a040
BindingDB Entry DOI: 10.7270/Q2377CGF
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50478561
PNG
(CHEBI:69599 | Methylpendolmycin)
Show SMILES [H][C@@]1([C@@H](C)CC)N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C |r|
Show InChI InChI=1S/C23H33N3O2/c1-7-14(3)21-22(28)25-16(13-27)11-15-12-24-20-17(23(4,5)8-2)9-10-18(19(15)20)26(21)6/h8-10,12,14,16,21,24,27H,2,7,11,13H2,1,3-6H3,(H,25,28)/t14-,16-,21-/m0/s1
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n/an/a 35.2n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Displacement of radiolabeled PDBU from PKC in rat forebrain

J Nat Prod 54: 1440-3


Article DOI: 10.1021/np50077a040
BindingDB Entry DOI: 10.7270/Q2377CGF
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101892
PNG
(2-(7-Ethoxy-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OCC)cc2s1)C3=O |c:13|
Show InChI InChI=1S/C22H20N4O8S4/c1-3-33-12-5-7-14-17(9-12)35-21(23-14)24-37(29,30)11-16(27)19-20(28)26-15-8-6-13(34-4-2)10-18(15)36-22(26)25-38(19,31)32/h5-10,19H,3-4,11H2,1-2H3,(H,23,24)
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n/an/a 40n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101903
PNG
(CHEMBL50806 | N-(6-Ethoxy-benzothiazol-2-yl)-2-(6-...)
Show SMILES CCOc1ccc2nc(NC(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)sc2c1
Show InChI InChI=1S/C20H20N4O5S3/c1-3-28-12-5-7-14-16(9-12)30-19(21-14)23-18(25)11-32(26,27)24-20-22-15-8-6-13(29-4-2)10-17(15)31-20/h5-10H,3-4,11H2,1-2H3,(H,22,24)(H,21,23,25)
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n/an/a 170n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101892
PNG
(2-(7-Ethoxy-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OCC)cc2s1)C3=O |c:13|
Show InChI InChI=1S/C22H20N4O8S4/c1-3-33-12-5-7-14-17(9-12)35-21(23-14)24-37(29,30)11-16(27)19-20(28)26-15-8-6-13(34-4-2)10-18(15)36-22(26)25-38(19,31)32/h5-10,19H,3-4,11H2,1-2H3,(H,23,24)
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n/an/a 170n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128187
PNG
((1R,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](C1)C(=O)NO
Show InChI InChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50292417
PNG
((3S,5aR,10bR,11aS,3'S,5'R,11'R)-3,3'-Dibenzyl-2,3,...)
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@]1([C@@H]2Nc2ccccc12)[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O |r|
Show InChI InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39-,40-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of substance P receptor

J Nat Prod 57: 1239-1244 (1994)


Article DOI: 10.1021/np50111a008
BindingDB Entry DOI: 10.7270/Q2GH9J05
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128192
PNG
((1S,3R)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](CC(=O)NO)C=C1 |c:20|
Show InChI InChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128210
PNG
((1R,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-h...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC(=O)NO)C1
Show InChI InChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101894
PNG
(2-(4-Hydroxy-7-methoxy-2,2-dioxo-2H-2lambda*6*,9-d...)
Show SMILES COc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(OC)cc2s1)C3=O |c:12|
Show InChI InChI=1S/C20H16N4O8S4/c1-31-10-3-5-12-15(7-10)33-19(21-12)22-35(27,28)9-14(25)17-18(26)24-13-6-4-11(32-2)8-16(13)34-20(24)23-36(17,29)30/h3-8,17H,9H2,1-2H3,(H,21,22)
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n/an/a 800n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101898
PNG
(2-(4-Hydroxy-7-methanesulfonyl-2,2-dioxo-2H-2lambd...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O)C3=O |c:14|
Show InChI InChI=1S/C20H16N4O10S6/c1-37(27,28)10-3-5-12-15(7-10)35-19(21-12)22-39(31,32)9-14(25)17-18(26)24-13-6-4-11(38(2,29)30)8-16(13)36-20(24)23-40(17,33)34/h3-8,17H,9H2,1-2H3,(H,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101896
PNG
(3-[2-(6-Ethoxycarbonyl-benzothiazol-2-ylsulfamoyl)...)
Show SMILES CCOC(=O)c1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(cc2s1)C(=O)OCC)C3=O |c:15|
Show InChI InChI=1S/C24H20N4O10S4/c1-3-37-21(31)12-5-7-14-17(9-12)39-23(25-14)26-41(33,34)11-16(29)19-20(30)28-15-8-6-13(22(32)38-4-2)10-18(15)40-24(28)27-42(19,35)36/h5-10,19H,3-4,11H2,1-2H3,(H,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128207
PNG
((1S,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](CC(=O)NO)C=C1 |c:20|
Show InChI InChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128209
PNG
((1R,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](CC(=O)NO)C=C1 |c:20|
Show InChI InChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128203
PNG
((1R,3S)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@H](C1)C(=O)NO
Show InChI InChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128199
PNG
((1S,3S)-4-(6-Amino-purin-9-yl)-cyclopent-2-enecarb...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](C=C1)C(=O)NO |c:15|
Show InChI InChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50119826
PNG
(5-(6-Amino-purin-9-yl)-pentanoic acid hydroxyamide...)
Show SMILES Nc1ncnc2n(CCCCC(=O)NO)cnc12
Show InChI InChI=1S/C10H14N6O2/c11-9-8-10(13-5-12-9)16(6-14-8)4-2-1-3-7(17)15-18/h5-6,18H,1-4H2,(H,15,17)(H2,11,12,13)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50119832
PNG
(4-(6-Amino-purin-9-yl)-N-hydroxy-butyramide | CHEM...)
Show SMILES Nc1ncnc2n(CCCC(=O)NO)cnc12
Show InChI InChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(5-13-7)3-1-2-6(16)14-17/h4-5,17H,1-3H2,(H,14,16)(H2,10,11,12)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128188
PNG
((1S,3R)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](CC(O)=O)C=C1 |c:19|
Show InChI InChI=1S/C12H13N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128206
PNG
((1S,3S)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-h...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@H](CC(=O)NO)C1
Show InChI InChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128191
PNG
(2-[3-(6-Amino-purin-9-yl)-cyclopentyloxy]-N-hydrox...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](C1)OCC(=O)NO
Show InChI InChI=1S/C12H16N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50292416
PNG
(CHEMBL501675 | Ditryptophenaline)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2[C@@H](C[C@@]3([C@H]2Nc2ccccc32)[C@@]23C[C@@H]4N([C@@H]2Nc2ccccc32)C(=O)[C@H](Cc2ccccc2)N(C)C4=O)C1=O |r|
Show InChI InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32-,33-,34-,39-,40-,41+,42+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of substance P receptor

J Nat Prod 57: 1239-1244 (1994)


Article DOI: 10.1021/np50111a008
BindingDB Entry DOI: 10.7270/Q2GH9J05
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128205
PNG
(2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyloxy]-N-h...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](OCC(=O)NO)C=C1 |c:21|
Show InChI InChI=1S/C12H14N6O3/c13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128204
PNG
((1R,3R)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CC(=O)NO)C=C1 |c:20|
Show InChI InChI=1S/C12H14N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101890
PNG
(2-(4-Hydroxy-2,2-dioxo-2H-2lambda*6*,9-dithia-1,4a...)
Show SMILES O=C(CS(=O)(=O)Nc1nc2ccccc2s1)C1C(=O)N2C(Sc3ccccc23)=NS1(=O)=O |c:31|
Show InChI InChI=1S/C18H12N4O6S4/c23-12(9-31(25,26)20-17-19-10-5-1-3-7-13(10)29-17)15-16(24)22-11-6-2-4-8-14(11)30-18(22)21-32(15,27)28/h1-8,15H,9H2,(H,19,20)
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n/an/a 2.10E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101893
PNG
(2-(4-Hydroxy-7-methyl-2,2-dioxo-2H-2lambda*6*,9-di...)
Show SMILES Cc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(C)cc2s1)C3=O |c:11|
Show InChI InChI=1S/C20H16N4O6S4/c1-10-3-5-12-15(7-10)31-19(21-12)22-33(27,28)9-14(25)17-18(26)24-13-6-4-11(2)8-16(13)32-20(24)23-34(17,29)30/h3-8,17H,9H2,1-2H3,(H,21,22)
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n/an/a 2.20E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128202
PNG
((1R,3S)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-h...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CC(=O)NO)C1
Show InChI InChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128195
PNG
((1R,3R)-[3-(6-Amino-purin-9-yl)-cyclopentyl]-aceti...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC(O)=O)C1
Show InChI InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h5-8H,1-4H2,(H,18,19)(H2,13,14,15)/t7-,8-/m1/s1
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n/an/a 2.88E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101900
PNG
(2-(4-Hydroxy-7-nitro-2,2-dioxo-2H-2lambda*6*,9-dit...)
Show SMILES [O-]C1=C(C(=O)CS(=O)(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)S(=O)(=O)Nc2sc3cc(ccc3[n+]12)[N+]([O-])=O |c:1|
Show InChI InChI=1S/C18H10N6O10S4/c25-12(7-37(31,32)20-17-19-10-3-1-8(23(27)28)5-13(10)35-17)15-16(26)22-11-4-2-9(24(29)30)6-14(11)36-18(22)21-38(15,33)34/h1-6H,7H2,(H2,19,20,25,26)
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n/an/a 3.50E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101895
PNG
(2-(7-Chloro-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...)
Show SMILES Clc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(Cl)cc2s1)C3=O |c:11|
Show InChI InChI=1S/C18H10Cl2N4O6S4/c19-8-1-3-10-13(5-8)31-17(21-10)22-33(27,28)7-12(25)15-16(26)24-11-4-2-9(20)6-14(11)32-18(24)23-34(15,29)30/h1-6,15H,7H2,(H,21,22)
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n/an/a 3.50E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50119842
PNG
(6-(6-Amino-purin-9-yl)-hexanoic acid hydroxyamide ...)
Show SMILES Nc1ncnc2n(CCCCCC(=O)NO)cnc12
Show InChI InChI=1S/C11H16N6O2/c12-10-9-11(14-6-13-10)17(7-15-9)5-3-1-2-4-8(18)16-19/h6-7,19H,1-5H2,(H,16,18)(H2,12,13,14)
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n/an/a 3.54E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101897
PNG
(2-(7-Fluoro-4-hydroxy-2,2-dioxo-2H-2lambda*6*,9-di...)
Show SMILES Fc1ccc2N3C(Sc2c1)=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc1nc2ccc(F)cc2s1)C3=O |c:11|
Show InChI InChI=1S/C18H10F2N4O6S4/c19-8-1-3-10-13(5-8)31-17(21-10)22-33(27,28)7-12(25)15-16(26)24-11-4-2-9(20)6-14(11)32-18(24)23-34(15,29)30/h1-6,15H,7H2,(H,21,22)
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n/an/a 3.70E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101899
PNG
(2-(4-Hydroxy-2,2-dioxo-7-phenoxy-2H-2lambda*6*,9-d...)
Show SMILES O=C(CS(=O)(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1)C1C(=O)N2C(Sc3cc(Oc4ccccc4)ccc23)=NS1(=O)=O |c:47|
Show InChI InChI=1S/C30H20N4O8S4/c35-24(17-45(37,38)32-29-31-22-13-11-20(15-25(22)43-29)41-18-7-3-1-4-8-18)27-28(36)34-23-14-12-21(42-19-9-5-2-6-10-19)16-26(23)44-30(34)33-46(27,39)40/h1-16,27H,17H2,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101902
PNG
(2-(4-Hydroxy-2,2-dioxo-7-phenyl-2H-2lambda*6*,9-di...)
Show SMILES O=C(CS(=O)(=O)Nc1nc2ccc(cc2s1)-c1ccccc1)C1C(=O)N2C(Sc3cc(ccc23)-c2ccccc2)=NS1(=O)=O |c:45|
Show InChI InChI=1S/C30H20N4O6S4/c35-24(17-43(37,38)32-29-31-22-13-11-20(15-25(22)41-29)18-7-3-1-4-8-18)27-28(36)34-23-14-12-21(19-9-5-2-6-10-19)16-26(23)42-30(34)33-44(27,39)40/h1-16,27H,17H2,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128197
PNG
((1S,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-h...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@H](CC(=O)NO)C1
Show InChI InChI=1S/C12H16N6O2/c13-11-10-12(15-5-14-11)18(6-16-10)8-2-1-7(3-8)4-9(19)17-20/h5-8,20H,1-4H2,(H,17,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128201
PNG
((1S,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](C1)C(=O)NO
Show InChI InChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7+/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128190
PNG
((1S,3S)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](CC(O)=O)C=C1 |c:19|
Show InChI InChI=1S/C12H13N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a 7.32E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101891
PNG
(5-Methoxy-2,2-dioxo-2H-2lambda*6*,9-dithia-1,4a-di...)
Show SMILES COc1cccc2SC3=NS(=O)(=O)CC(=O)N3c12 |t:8|
Show InChI InChI=1S/C10H8N2O4S2/c1-16-6-3-2-4-7-9(6)12-8(13)5-18(14,15)11-10(12)17-7/h2-4H,5H2,1H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128186
PNG
((1S,3S)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@H](C1)C(=O)NO
Show InChI InChI=1S/C11H14N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h4-7,19H,1-3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128189
PNG
((1S,3S)-[3-(6-Amino-purin-9-yl)-cyclopentyl]-aceti...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@H](CC(O)=O)C1
Show InChI InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h5-8H,1-4H2,(H,18,19)(H2,13,14,15)/t7-,8-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128194
PNG
((1R,3R)-4-(6-Amino-purin-9-yl)-cyclopent-2-enecarb...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](C=C1)C(=O)NO |c:15|
Show InChI InChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101901
PNG
(2,2-Dioxo-7-trifluoromethoxy-2H-2lambda*6*,9-dithi...)
Show SMILES FC(F)(F)Oc1ccc2N3C(Sc2c1)=NS(=O)(=O)CC3=O |c:15|
Show InChI InChI=1S/C10H5F3N2O4S2/c11-10(12,13)19-5-1-2-6-7(3-5)20-9-14-21(17,18)4-8(16)15(6)9/h1-3H,4H2
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n/an/a>1.20E+5n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50101889
PNG
(2-(7-Cyclohexyl-4-hydroxy-2,2-dioxo-2H-2lambda*6*,...)
Show SMILES O=C(CS(=O)(=O)Nc1nc2ccc(cc2s1)C1CCCCC1)C1C(=O)N2C(Sc3cc(ccc23)C2CCCCC2)=NS1(=O)=O |c:45|
Show InChI InChI=1S/C30H32N4O6S4/c35-24(17-43(37,38)32-29-31-22-13-11-20(15-25(22)41-29)18-7-3-1-4-8-18)27-28(36)34-23-14-12-21(19-9-5-2-6-10-19)16-26(23)42-30(34)33-44(27,39)40/h11-16,18-19,27H,1-10,17H2,(H,31,32)
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n/an/a>1.20E+5n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-2-MeS-ADP from human Purinergic receptor P2Y12

Bioorg Med Chem Lett 11: 1805-8 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RC2
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128211
PNG
((1S,3R)-4-(6-Amino-purin-9-yl)-cyclopent-2-enecarb...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C=C1)C(=O)NO |c:15|
Show InChI InChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7+/m1/s1
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n/an/a 1.88E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128200
PNG
((1S,3R)-[3-(6-Amino-purin-9-yl)-cyclopentyl]-aceti...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@H](CC(O)=O)C1
Show InChI InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h5-8H,1-4H2,(H,18,19)(H2,13,14,15)/t7-,8+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128198
PNG
((1R,3S)-[3-(6-Amino-purin-9-yl)-cyclopentyl]-aceti...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CC(O)=O)C1
Show InChI InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h5-8H,1-4H2,(H,18,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128196
PNG
((1R,3S)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](CC(O)=O)C=C1 |c:19|
Show InChI InChI=1S/C12H13N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15)/t7-,8-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128193
PNG
((1R,3S)-4-(6-Amino-purin-9-yl)-cyclopent-2-enecarb...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](C=C1)C(=O)NO |c:15|
Show InChI InChI=1S/C11H12N6O2/c12-9-8-10(14-4-13-9)17(5-15-8)7-2-1-6(3-7)11(18)16-19/h1-2,4-7,19H,3H2,(H,16,18)(H2,12,13,14)/t6-,7+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Homo sapiens (Human))		BDBM50128208
PNG
((1R,3R)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CC(O)=O)C=C1 |c:19|
Show InChI InChI=1S/C12H13N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15)/t7-,8+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.

J Med Chem 46: 2177-86 (2003)


Article DOI: 10.1021/jm0205604
BindingDB Entry DOI: 10.7270/Q2M32V44
More data for this
Ligand-Target Pair