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Compile Data Set for Download or QSAR

Found 954 hits with Last Name = 'schenone' and Initial = 's'   
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
Adenosine A1 receptor


(BOVINE)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120441
PNG
(1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14|
Show InChI InChI=1S/C23H27N3O2/c27-16-13-20-10-4-5-14-25(20)23(28)12-11-19-9-6-15-26-22(19)17-21(24-26)18-7-2-1-3-8-18/h1-3,6-9,11-12,15,20,22,27H,4-5,10,13-14,16-17H2/t20-,22?/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50051672
PNG
(2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]...)
Show SMILES C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-16(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)21-22(25)26-23(27-24(21)28)18-12-6-3-7-13-18/h2-16H,1H3,(H2,25,26,27)/t16-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436581
PNG
(CHEMBL2397805)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3Cl)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-7-5-13(6-8-15)18(23)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-17(14)22/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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6n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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6.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50079654
PNG
(4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...)
Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102904
PNG
(CHEMBL3394091)
Show SMILES Oc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1
Show InChI InChI=1/C24H24ClN5OS/c25-21(16-7-2-1-3-8-16)15-30-23-20(14-26-30)22(27-17-9-6-10-18(31)13-17)28-24(29-23)32-19-11-4-5-12-19/h1-3,6-10,13-14,19,21,31H,4-5,11-12,15H2,(H,27,28,29)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7.20n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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7.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50004575
PNG
(CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...)
Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7.70n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120447
PNG
(CHEMBL145058 | Cyclopentyl-(1-methyl-imidazo[1,2-a...)
Show SMILES Cc1cnc2c(NC3CCCC3)nc3ccccc3n12
Show InChI InChI=1S/C16H18N4/c1-11-10-17-16-15(18-12-6-2-3-7-12)19-13-8-4-5-9-14(13)20(11)16/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50008387
PNG
(CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176835
PNG
(CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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10n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102908
PNG
(CHEMBL3393071)
Show SMILES CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5OS/c1-14(2)30-22-26-20(25-16-9-6-10-17(29)11-16)18-12-24-28(21(18)27-22)13-19(23)15-7-4-3-5-8-15/h3-12,14,19,29H,13H2,1-2H3,(H,25,26,27)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176815
PNG
(CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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13n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Abl by filter-binding assay


J Med Chem 54: 2610-26 (2011)


Article DOI: 10.1021/jm1012819
BindingDB Entry DOI: 10.7270/Q28K79F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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13n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Abl by filter-binding assay


Eur J Med Chem 43: 2665-76 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.034
BindingDB Entry DOI: 10.7270/Q23J3CS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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13n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A1 receptor


(BOVINE)
BDBM50120446
PNG
(8-Chloro-2-(2-fluoro-phenyl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1F
Show InChI InChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50003018
PNG
(8-(3-Oxo-cyclopentyl)-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
Show InChI InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176838
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C25H25ClN4O2/c1-17-8-10-18(11-9-17)12-13-27-23-20-15-29-30(16-22(26)19-6-4-3-5-7-19)24(20)28-14-21(23)25(31)32-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176842
PNG
(CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262718
PNG
(CHEMBL476304 | N-(5-(4-methoxybenzyl)thiazol-2-yl)...)
Show SMILES COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19)
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176815
PNG
(CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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17n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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18n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176832
PNG
(CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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19n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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19.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372736
PNG
(CHEMBL270492)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16ClF2N5/c21-17(13-5-7-15(22)8-6-13)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-18(14)23/h1-8,10,12,17H,9,11H2,(H,24,25,26)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436582
PNG
(CHEMBL2397804)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrCl2N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176855
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C26H27ClN4O2/c1-3-33-26(32)22-15-29-25-21(24(22)28-14-13-19-11-9-18(2)10-12-19)16-30-31(25)17-23(27)20-7-5-4-6-8-20/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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22n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176844
PNG
(CHEMBL389405 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C
Show InChI InChI=1S/C21H25ClN4O2/c1-4-10-23-19-16-12-25-26(13-18(22)15-8-6-5-7-9-15)20(16)24-11-17(19)21(27)28-14(2)3/h5-9,11-12,14,18H,4,10,13H2,1-3H3,(H,23,24)
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24n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176835
PNG
(CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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25n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354480
PNG
(CHEMBL1836678)
Show SMILES CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H21N5S/c1-15(16-9-5-3-6-10-16)14-26-20-18(13-22-26)19(24-21(25-20)27-2)23-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,24,25)
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25n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354481
PNG
(CHEMBL1836679)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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25n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.079
BindingDB Entry DOI: 10.7270/Q29G5N6P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176842
PNG
(CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)
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29n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120449
PNG
(2-(9-Phenyl-6-propylsulfanyl-9H-purin-2-ylsulfanyl...)
Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-14-16(21-18(22-17)26-13(4-2)15(19)24)23(11-20-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,24)
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29.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102872
PNG
(CHEMBL3394083)
Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C20H18ClN5OS/c1-28-20-24-18(23-14-8-5-9-15(27)10-14)16-11-22-26(19(16)25-20)12-17(21)13-6-3-2-4-7-13/h2-11,17,27H,12H2,1H3,(H,23,24,25)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176849
PNG
(CHEMBL427255 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29)
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31n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176828
PNG
(CHEMBL224097 | ethyl 4-(3-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(F)c1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(27)13-17)15-30-31(24)16-22(26)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)
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33n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176840
PNG
(CHEMBL224083 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O2/c1-13(2)28-21(27)17-10-23-20-16(19(17)25-15-8-9-15)11-24-26(20)12-18(22)14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,23,25)
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36n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354485
PNG
(CHEMBL412298)
Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15|
Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101585
PNG
(CHEMBL3393986)
Show SMILES Cl.Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3n(CCc4ccccc4)ncc23)c1
Show InChI InChI=1S/C25H28N6O2S.ClH/c32-21-8-4-7-20(17-21)27-23-22-18-26-31(10-9-19-5-2-1-3-6-19)24(22)29-25(28-23)34-16-13-30-11-14-33-15-12-30;/h1-8,17-18,32H,9-16H2,(H,27,28,29);1H
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP


J Med Chem 58: 347-61 (2015)


Article DOI: 10.1021/jm5013159
BindingDB Entry DOI: 10.7270/Q2416ZTT
More data for this
Ligand-Target Pair
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