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Compile Data Set for Download or QSAR

Found 242 hits of kd for UniProtKB: P06239   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SRC


(Homo sapiens (human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/an/a 3.60E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.10E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM26300
PNG
(2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
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n/an/an/a 3.80E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a 2.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 6.40E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/an/a 3.20E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/a 1.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 200n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/an/a 9.90E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 2.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a 6.30E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(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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n/an/an/a 4.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens (human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/an/a 5.90E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 2.80E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 2.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 2.30E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 2.70E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 3.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 2.30E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/an/a 6.10E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/an/a 4.60E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 1.70E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25719CM
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM81374
PNG
(BODIPY-labeled probe, 4a)
Show SMILES Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12
Show InChI InChI=1S/C50H49BF5N11O4/c1-31-12-13-37(62-48(70)34-8-6-9-35(27-34)50(52,53)54)28-42(31)64-46-41(10-7-23-59-46)47-60-30-61-49(65-47)63-36-14-19-40(20-15-36)71-25-24-58-44(68)11-4-5-22-57-45(69)21-18-38-16-17-39-29-43-32(2)26-33(3)66(43)51(55,56)67(38)39/h6-10,12-17,19-20,23,26-30H,4-5,11,18,21-22,24-25H2,1-3H3,(H,57,69)(H,58,68)(H,59,64)(H,62,70)(H,60,61,63,65)/q+1
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n/an/an/a 20n/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM255476
PNG
(US9499486, 1)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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US Patent
n/an/an/a 4.20n/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
Kinase enzyme binding activities of the compound disclosed herein may be determined using a proprietary assay which measures active site-directed com...


US Patent US9499486 (2016)


BindingDB Entry DOI: 10.7270/Q21N801Z
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50111444
PNG
(2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-1,2-d...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1
Show InChI InChI=1S/C41H43N3O6/c1-26-21-22-44(25-28-13-19-33(50-6)20-14-28)37(46)35(26)43-36(45)34(23-27-11-16-31(17-12-27)41(4,5)39(48)49)42-38(47)40(2,3)32-18-15-29-9-7-8-10-30(29)24-32/h7-22,24,34H,23,25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)/t34-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck SH2 domain binding to pYEEI


J Med Chem 45: 1543-58 (2002)


Article DOI: 10.1021/jm010468s
BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50111444
PNG
(2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-1,2-d...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1
Show InChI InChI=1S/C41H43N3O6/c1-26-21-22-44(25-28-13-19-33(50-6)20-14-28)37(46)35(26)43-36(45)34(23-27-11-16-31(17-12-27)41(4,5)39(48)49)42-38(47)40(2,3)32-18-15-29-9-7-8-10-30(29)24-32/h7-22,24,34H,23,25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)/t34-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for p56 lck kinase


J Med Chem 45: 1543-58 (2002)


Article DOI: 10.1021/jm010468s
BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074241
PNG
(CHEMBL351638 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H37N4O7P/c1-17(2)14-23(25(32)27-16-20-6-10-21(11-7-20)30(4)5)29-26(33)24(28-18(3)31)15-19-8-12-22(13-9-19)37-38(34,35)36/h6-13,17,23-24H,14-16H2,1-5H3,(H,27,32)(H,28,31)(H,29,33)(H2,34,35,36)/t23-,24-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074242
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-25(38)19(10-12-22(35)36)29-24(37)18(9-11-21(33)34)30-26(39)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,40,41)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074243
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H28N3O9P/c1-15(27)25-20(13-16-7-9-18(10-8-16)35-36(32,33)34)23(31)26-19(11-12-21(28)29)22(30)24-14-17-5-3-2-4-6-17/h2-10,19-20H,11-14H2,1H3,(H,24,30)(H,25,27)(H,26,31)(H,28,29)(H2,32,33,34)/t19-,20-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074244
PNG
(CHEMBL350275 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H38N3O7P/c1-17(2)14-24(26(32)28-16-21-6-10-22(11-7-21)18(3)4)30-27(33)25(29-19(5)31)15-20-8-12-23(13-9-20)37-38(34,35)36/h6-13,17-18,24-25H,14-16H2,1-5H3,(H,28,32)(H,29,31)(H,30,33)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/an/a 800n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074246
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N3O9P/c1-14(26)23-19(13-15-7-9-17(10-8-15)34-35(31,32)33)22(30)25-18(11-12-20(27)28)21(29)24-16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H,23,26)(H,24,29)(H,25,30)(H,27,28)(H2,31,32,33)/t18-,19-/m0/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074245
PNG
(CHEMBL164429 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C25H34N3O7P/c1-16(2)13-22(24(30)26-15-20-7-5-17(3)6-8-20)28-25(31)23(27-18(4)29)14-19-9-11-21(12-10-19)35-36(32,33)34/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 2.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074247
PNG
(CHEMBL350710 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H40N3O7P/c1-17(2)15-25(27(33)29-19(5)23-11-9-22(10-12-23)18(3)4)31-28(34)26(30-20(6)32)16-21-7-13-24(14-8-21)38-39(35,36)37/h7-14,17-19,25-26H,15-16H2,1-6H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t19-,25-,26-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074248
PNG
(CHEMBL164198 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)13-22(24(30)26-15-19-7-9-20(35-4)10-8-19)28-25(31)23(27-17(3)29)14-18-5-11-21(12-6-18)36-37(32,33)34/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074249
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H30N3O9P/c1-16(28)26-21(15-18-7-9-19(10-8-18)36-37(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-13-17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074250
PNG
(CHEMBL163548 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1OC
Show InChI InChI=1S/C26H36N3O9P/c1-16(2)12-21(25(31)27-15-19-8-11-23(36-4)24(14-19)37-5)29-26(32)22(28-17(3)30)13-18-6-9-20(10-7-18)38-39(33,34)35/h6-11,14,16,21-22H,12-13,15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t21-,22-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074251
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C16H22N3O9P/c1-9(20)18-13(16(24)19-12(15(17)23)6-7-14(21)22)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)(H2,25,26,27)/t12-,13-/m0/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074253
PNG
(CHEMBL349415 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)Cc1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-17(2)14-24(26(32)29(5)16-21-8-6-18(3)7-9-21)28-25(31)23(27-19(4)30)15-20-10-12-22(13-11-20)36-37(33,34)35/h6-13,17,23-24H,14-16H2,1-5H3,(H,27,30)(H,28,31)(H2,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074252
PNG
(CHEMBL435654 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)c1
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)12-22(24(30)26-15-19-6-5-7-21(13-19)35-4)28-25(31)23(27-17(3)29)14-18-8-10-20(11-9-18)36-37(32,33)34/h5-11,13,16,22-23H,12,14-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074255
PNG
(CHEMBL162157 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)12-20(22(29)25-14-18-6-4-5-11-24-18)27-23(30)21(26-16(3)28)13-17-7-9-19(10-8-17)34-35(31,32)33/h4-11,15,20-21H,12-14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 3.10E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074257
PNG
(CHEMBL162038 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-16(2)14-23(25(31)27-18(4)21-10-6-17(3)7-11-21)29-26(32)24(28-19(5)30)15-20-8-12-22(13-9-20)36-37(33,34)35/h6-13,16,18,23-24H,14-15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t18-,23-,24-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074254
PNG
(CHEMBL160105 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40N3O7P/c1-18(2)15-24(26(33)29-17-21-7-11-22(12-8-21)28(4,5)6)31-27(34)25(30-19(3)32)16-20-9-13-23(14-10-20)38-39(35,36)37/h7-14,18,24-25H,15-17H2,1-6H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t24-,25-/m0/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074258
PNG
(CHEMBL351905 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)13-21(24(30)26-15-19-7-5-6-8-23(19)35-4)28-25(31)22(27-17(3)29)14-18-9-11-20(12-10-18)36-37(32,33)34/h5-12,16,21-22H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t21-,22-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074259
PNG
(CHEMBL162104 | Phosphoric acid mono-{4-[(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H32N3O7P/c1-16(2)13-21(23(29)25-15-19-7-5-4-6-8-19)27-24(30)22(26-17(3)28)14-18-9-11-20(12-10-18)34-35(31,32)33/h4-12,16,21-22H,13-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t21-,22-/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074256
PNG
(CHEMBL159974 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)11-20(22(29)25-14-18-5-4-10-24-13-18)27-23(30)21(26-16(3)28)12-17-6-8-19(9-7-17)34-35(31,32)33/h4-10,13,15,20-21H,11-12,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 3.40E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074260
PNG
(CHEMBL160077 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)12-20(22(29)25-14-18-8-10-24-11-9-18)27-23(30)21(26-16(3)28)13-17-4-6-19(7-5-17)34-35(31,32)33/h4-11,15,20-21H,12-14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074261
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1
Show InChI InChI=1S/C24H30N3O10P/c1-15(28)26-21(13-16-3-9-19(10-4-16)37-38(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-17-5-7-18(36-2)8-6-17/h3-10,20-21H,11-14H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50074262
PNG
(CHEMBL348834 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-16(2)14-23(25(31)27-18(4)21-10-6-17(3)7-11-21)29-26(32)24(28-19(5)30)15-20-8-12-22(13-9-20)36-37(33,34)35/h6-13,16,18,23-24H,14-15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t18-,23+,24+/m1/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein


J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
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