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Compile Data Set for Download or QSAR

Found 1262 hits with Last Name = 'rauh' and Initial = 'd'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50238182
PNG
(CHEMBL4100860)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(CCCO)nc1-c1ccc(F)cc1
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0.0700n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 60: 5613-5637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00316
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50238177
PNG
(CHEMBL4098072)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
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0.350n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL




J Med Chem 60: 5613-5637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00316
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50238183
PNG
(CHEMBL4071012)
Show SMILES Fc1ccc(cc1)-c1nc(SCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1
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1.60n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL




J Med Chem 60: 5613-5637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00316
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50323701
PNG
(2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...)
Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2
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2n/an/an/an/an/an/an/an/a



Institut für Molekulare Physiologie

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)


Nat Chem Biol 5: 585-92 (2009)


Article DOI: 10.1038/nchembio.188
BindingDB Entry DOI: 10.7270/Q2MP53F2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50131550
PNG
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237140
PNG
(CHEMBL4068763)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(Nc3cccc(F)c3)ccc12
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5.10n/an/an/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL




J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
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
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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14n/an/an/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL




J Med Chem 60: 5613-5637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00316
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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14n/an/an/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL




J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50341987
PNG
((S)-4-((S)-1-amino-3-(4-(difluoro(phosphono)methyl...)
Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O)c1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C38H54F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-31(47)46-33(26-17-21-28(22-18-26)38(41,42)60(56,57)58)36(52)45-30(24-32(48)49)35(51)44-29(34(43)50)23-25-15-19-27(20-16-25)37(39,40)59(53,54)55/h15-22,29-30,33H,2-14,23-24H2,1H3,(H2,43,50)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H2,53,54,55)(H2,56,57,58)/t29-,30-,33+/m0/s1
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26n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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29n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
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
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102878
PNG
(CHEMBL3394082)
Show SMILES Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C26H30N6O2S.ClH/c1-19(20-6-3-2-4-7-20)18-32-25-23(17-27-32)24(28-21-8-5-9-22(33)16-21)29-26(30-25)35-15-12-31-10-13-34-14-11-31;/h2-9,16-17,19,33H,10-15,18H2,1H3,(H,28,29,30);1H
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70n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
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74n/an/an/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL




J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc25C


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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89n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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95n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102909
PNG
(CHEMBL3394077)
Show SMILES CCSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1/C22H22BrN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)
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100n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102875
PNG
(CHEMBL3394078)
Show SMILES CCSc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1/C22H23N5OS/c1-3-29-22-25-20(24-17-10-7-11-18(28)12-17)19-13-23-27(21(19)26-22)14-15(2)16-8-5-4-6-9-16/h4-13,15,28H,3,14H2,1-2H3,(H,24,25,26)
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110n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102906
PNG
(CHEMBL3394089)
Show SMILES Fc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1
Show InChI InChI=1/C24H23ClFN5S/c25-21(16-7-2-1-3-8-16)15-31-23-20(14-27-31)22(28-18-10-6-9-17(26)13-18)29-24(30-23)32-19-11-4-5-12-19/h1-3,6-10,13-14,19,21H,4-5,11-12,15H2,(H,28,29,30)
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110n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102907
PNG
(CHEMBL3394088)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SC3CCCC3)nc12)c1ccccc1
Show InChI InChI=1/C24H24ClN5S/c25-21(17-9-3-1-4-10-17)16-30-23-20(15-26-30)22(27-18-11-5-2-6-12-18)28-24(29-23)31-19-13-7-8-14-19/h1-6,9-12,15,19,21H,7-8,13-14,16H2,(H,27,28,29)
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120n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50102903
PNG
(CHEMBL3394092)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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120n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Tyrosine-protein kinase ABL1


(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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120n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102903
PNG
(CHEMBL3394092)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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130n/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
Tyrosine-protein kinase ABL1


(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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130n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102871
PNG
(CHEMBL3394084)
Show SMILES CCCCSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C23H24ClN5OS/c1-2-3-12-31-23-27-21(26-17-10-7-11-18(30)13-17)19-14-25-29(22(19)28-23)15-20(24)16-8-5-4-6-9-16/h4-11,13-14,20,30H,2-3,12,15H2,1H3,(H,26,27,28)
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130n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237139
PNG
(CHEMBL4089863)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccc(cc12)-c1ccc2ccccc2c1
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147n/an/an/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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150n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341982
PNG
(5-(2-cyclohexyl-4-((1-(6-(4-fluoro-2-methylphenyls...)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(no3)C(O)=O)c(c2)C2CCCCC2)nn1
Show InChI InChI=1S/C32H38FN5O6S/c1-22-17-24(33)11-14-31(22)45(41,42)34-15-7-2-3-8-16-38-20-25(35-37-38)21-43-26-12-13-27(30-19-29(32(39)40)36-44-30)28(18-26)23-9-5-4-6-10-23/h11-14,17-20,23,34H,2-10,15-16,21H2,1H3,(H,39,40)
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150n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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150n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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180n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102877
PNG
(CHEMBL3393979)
Show SMILES Cl[C@@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 |r|
Show InChI InChI=1/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/s2
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200n/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
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102887
PNG
(CHEMBL3393983)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C20H18BrN5S/c1-27-20-24-18(23-16-9-5-8-15(21)12-16)17-13-22-26(19(17)25-20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)
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200n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
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210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena Via Aldo Moro 2

Curated by ChEMBL


Assay Description
Inhibition of c-src kinase (unknown origin)


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
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
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220n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102876
PNG
(CHEMBL3393980)
Show SMILES Cl[C@H](Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 |r|
Show InChI InChI=1/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/s2
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230n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237153
PNG
(CHEMBL4098444)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cn(C)c2ccccc12
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236n/an/an/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase II


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
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240n/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
3D
3D Structure (crystal)
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341985
PNG
(CHEMBL1765366)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3cccc(F)c3)C(=O)[C@@]3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1 |r|
Show InChI InChI=1S/C23H14F3N3O6S/c24-14-3-1-2-13(8-14)11-27-20-7-5-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-4-6-18(25)19(26)10-15/h1-10H,11-12H2/t23-/m1/s1
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250n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102869
PNG
(CHEMBL3394086)
Show SMILES CC(C)Sc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H21ClFN5S/c1-14(2)30-22-27-20(26-17-10-6-9-16(24)11-17)18-12-25-29(21(18)28-22)13-19(23)15-7-4-3-5-8-15/h3-12,14,19H,13H2,1-2H3,(H,26,27,28)
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260n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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290n/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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50216683
PNG
(1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...)
Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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300n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102870
PNG
(CHEMBL3394085)
Show SMILES CC(C)Sc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-15(2)29-22-26-20(25-17-11-7-4-8-12-17)18-13-24-28(21(18)27-22)14-19(23)16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3,(H,25,26,27)
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300n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50102878
PNG
(CHEMBL3394082)
Show SMILES Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C26H30N6O2S.ClH/c1-19(20-6-3-2-4-7-20)18-32-25-23(17-27-32)24(28-21-8-5-9-22(33)16-21)29-26(30-25)35-15-12-31-10-13-34-14-11-31;/h2-9,16-17,19,33H,10-15,18H2,1H3,(H,28,29,30);1H
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430n/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 Abl kinase using [gamma-32P]ATP as substrate by filter binding assay


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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102910
PNG
(CHEMBL3394076)
Show SMILES CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1/C22H22ClN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)
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550n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102879
PNG
(CHEMBL3393984)
Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C20H19N5OS/c1-27-20-23-18(22-15-8-5-9-16(26)12-15)17-13-21-25(19(17)24-20)11-10-14-6-3-2-4-7-14/h2-9,12-13,26H,10-11H2,1H3,(H,22,23,24)
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620n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102874
PNG
(CHEMBL3394087)
Show SMILES CC(C)Sc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1/C22H21BrClN5S/c1-14(2)30-22-27-20(26-17-10-6-9-16(23)11-17)18-12-25-29(21(18)28-22)13-19(24)15-7-4-3-5-8-15/h3-12,14,19H,13H2,1-2H3,(H,26,27,28)
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620n/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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50342004
PNG
(4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-...)
Show SMILES OS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
Show InChI InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
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700n/an/an/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of SHP-2


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
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