Found 76 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303222
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(3,4,5-trihyd...)Show SMILES Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)| Show InChI InChI=1S/C26H24Cl2N4O7/c1-32-23-12(9-15(24(32)37)19-16(27)3-2-4-17(19)28)10-29-26(31-23)30-13-5-7-14(8-6-13)38-25-22(36)21(35)20(34)18(11-33)39-25/h2-10,18,20-22,25,33-36H,11H2,1H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303229
(6-(2,6-dichlorophenyl)-2-(4-(2,3-dihydroxypropylam...)Show SMILES Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)| Show InChI InChI=1S/C23H21Cl2N5O3/c1-30-21-13(9-17(22(30)33)20-18(24)3-2-4-19(20)25)10-27-23(29-21)28-15-7-5-14(6-8-15)26-11-16(32)12-31/h2-10,16,26,31-32H,11-12H2,1H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303224
(2-(4-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303233
(2-(3-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(8-14(19(27)28)17-15(21)6-3-7-16(17)22)10-24-20(26-18)25-13-5-2-4-12(23)9-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM3083
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 50 | 6-(2,...)Show SMILES Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(8-14(19(26)28)17-15(21)6-3-7-16(17)22)10-23-20(25-18)24-12-4-2-5-13(27)9-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM3085
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303227
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)| Show InChI InChI=1S/C26H24Cl2N6O2/c1-32-10-12-34(13-11-32)24(35)16-6-8-18(9-7-16)30-26-29-15-17-14-19(25(36)33(2)23(17)31-26)22-20(27)4-3-5-21(22)28/h3-9,14-15H,10-13H2,1-2H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303230
(3-amino-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-ox...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)| Show InChI InChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303225
(CHEMBL566850 | N-(4-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-6-8-15(9-7-14)27-22-25-11-13-10-16(21(31)29(2)20(13)28-22)19-17(23)4-3-5-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303232
(6-(2,6-dichlorophenyl)-2-(3-((2,3-dihydroxypropoxy...)Show SMILES Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)| Show InChI InChI=1S/C24H22Cl2N4O4/c1-30-22-15(9-18(23(30)33)21-19(25)6-3-7-20(21)26)10-27-24(29-22)28-16-5-2-4-14(8-16)12-34-13-17(32)11-31/h2-10,17,31-32H,11-13H2,1H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303234
(CHEMBL565801 | N-(3-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM3084
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 51 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(9-14(19(26)28)17-15(21)3-2-4-16(17)22)10-23-20(25-18)24-12-5-7-13(27)8-6-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303226
(2-chloro-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-o...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)| Show InChI InChI=1S/C22H16Cl3N5O2/c1-30-20-12(9-15(21(30)32)19-16(24)3-2-4-17(19)25)11-26-22(29-20)28-14-7-5-13(6-8-14)27-18(31)10-23/h2-9,11H,10H2,1H3,(H,27,31)(H,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303223
(6-(2,6-dichlorophenyl)-2-(4-(2-hydroxyethyl)phenyl...)Show SMILES Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303223
(6-(2,6-dichlorophenyl)-2-(4-(2-hydroxyethyl)phenyl...)Show SMILES Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303227
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)| Show InChI InChI=1S/C26H24Cl2N6O2/c1-32-10-12-34(13-11-32)24(35)16-6-8-18(9-7-16)30-26-29-15-17-14-19(25(36)33(2)23(17)31-26)22-20(27)4-3-5-21(22)28/h3-9,14-15H,10-13H2,1-2H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303228
(CHEMBL565609 | tert-butyl 3-(4-(6-(2,6-dichlorophe...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)| Show InChI InChI=1S/C28H28Cl2N6O4/c1-28(2,3)40-27(39)31-13-12-22(37)33-17-8-10-18(11-9-17)34-26-32-15-16-14-19(25(38)36(4)24(16)35-26)23-20(29)6-5-7-21(23)30/h5-11,14-15H,12-13H2,1-4H3,(H,31,39)(H,33,37)(H,32,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303221
(6-(2,6-dichlorophenyl)-2-(4-iodophenylamino)-8-met...)Show SMILES Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)| Show InChI InChI=1S/C20H13Cl2IN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303222
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(3,4,5-trihyd...)Show SMILES Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)| Show InChI InChI=1S/C26H24Cl2N4O7/c1-32-23-12(9-15(24(32)37)19-16(27)3-2-4-17(19)28)10-29-26(31-23)30-13-5-7-14(8-6-13)38-25-22(36)21(35)20(34)18(11-33)39-25/h2-10,18,20-22,25,33-36H,11H2,1H3,(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303230
(3-amino-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-ox...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)| Show InChI InChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM6569
(6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8...)Show SMILES Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)| Show InChI InChI=1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50303231
(6-(2,6-dichlorophenyl)-2-(3-ethylphenylamino)-8-me...)Show SMILES CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)| Show InChI InChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM3079
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 46 | 6-(2,...)Show SMILES Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)| Show InChI InChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Abl |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303222
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(3,4,5-trihyd...)Show SMILES Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)| Show InChI InChI=1S/C26H24Cl2N4O7/c1-32-23-12(9-15(24(32)37)19-16(27)3-2-4-17(19)28)10-29-26(31-23)30-13-5-7-14(8-6-13)38-25-22(36)21(35)20(34)18(11-33)39-25/h2-10,18,20-22,25,33-36H,11H2,1H3,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303229
(6-(2,6-dichlorophenyl)-2-(4-(2,3-dihydroxypropylam...)Show SMILES Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)| Show InChI InChI=1S/C23H21Cl2N5O3/c1-30-21-13(9-17(22(30)33)20-18(24)3-2-4-19(20)25)10-27-23(29-21)28-15-7-5-14(6-8-15)26-11-16(32)12-31/h2-10,16,26,31-32H,11-12H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303230
(3-amino-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-ox...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)| Show InChI InChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303227
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)| Show InChI InChI=1S/C26H24Cl2N6O2/c1-32-10-12-34(13-11-32)24(35)16-6-8-18(9-7-16)30-26-29-15-17-14-19(25(36)33(2)23(17)31-26)22-20(27)4-3-5-21(22)28/h3-9,14-15H,10-13H2,1-2H3,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303224
(2-(4-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303233
(2-(3-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(8-14(19(27)28)17-15(21)6-3-7-16(17)22)10-24-20(26-18)25-13-5-2-4-12(23)9-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303229
(6-(2,6-dichlorophenyl)-2-(4-(2,3-dihydroxypropylam...)Show SMILES Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)| Show InChI InChI=1S/C23H21Cl2N5O3/c1-30-21-13(9-17(22(30)33)20-18(24)3-2-4-19(20)25)10-27-23(29-21)28-15-7-5-14(6-8-15)26-11-16(32)12-31/h2-10,16,26,31-32H,11-12H2,1H3,(H,27,28,29) | PDB
MMDB
KEGG
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3083
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 50 | 6-(2,...)Show SMILES Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(8-14(19(26)28)17-15(21)6-3-7-16(17)22)10-23-20(25-18)24-12-4-2-5-13(27)9-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3085
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
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MCE
MMDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303225
(CHEMBL566850 | N-(4-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-6-8-15(9-7-14)27-22-25-11-13-10-16(21(31)29(2)20(13)28-22)19-17(23)4-3-5-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM6569
(6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8...)Show SMILES Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)| Show InChI InChI=1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303224
(2-(4-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303232
(6-(2,6-dichlorophenyl)-2-(3-((2,3-dihydroxypropoxy...)Show SMILES Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)| Show InChI InChI=1S/C24H22Cl2N4O4/c1-30-22-15(9-18(23(30)33)21-19(25)6-3-7-20(21)26)10-27-24(29-22)28-16-5-2-4-14(8-16)12-34-13-17(32)11-31/h2-10,17,31-32H,11-13H2,1H3,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM3084
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 51 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(9-14(19(26)28)17-15(21)3-2-4-16(17)22)10-23-20(25-18)24-12-5-7-13(27)8-6-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303225
(CHEMBL566850 | N-(4-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-6-8-15(9-7-14)27-22-25-11-13-10-16(21(31)29(2)20(13)28-22)19-17(23)4-3-5-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303223
(6-(2,6-dichlorophenyl)-2-(4-(2-hydroxyethyl)phenyl...)Show SMILES Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303233
(2-(3-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(8-14(19(27)28)17-15(21)6-3-7-16(17)22)10-24-20(26-18)25-13-5-2-4-12(23)9-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303226
(2-chloro-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-o...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)| Show InChI InChI=1S/C22H16Cl3N5O2/c1-30-20-12(9-15(21(30)32)19-16(24)3-2-4-17(19)25)11-26-22(29-20)28-14-7-5-13(6-8-14)27-18(31)10-23/h2-9,11H,10H2,1H3,(H,27,31)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM3085
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303234
(CHEMBL565801 | N-(3-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM3083
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 50 | 6-(2,...)Show SMILES Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(8-14(19(26)28)17-15(21)6-3-7-16(17)22)10-23-20(25-18)24-12-4-2-5-13(27)9-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303228
(CHEMBL565609 | tert-butyl 3-(4-(6-(2,6-dichlorophe...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)| Show InChI InChI=1S/C28H28Cl2N6O4/c1-28(2,3)40-27(39)31-13-12-22(37)33-17-8-10-18(11-9-17)34-26-32-15-16-14-19(25(38)36(4)24(16)35-26)23-20(29)6-5-7-21(23)30/h5-11,14-15H,12-13H2,1-4H3,(H,31,39)(H,33,37)(H,32,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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PC sid
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| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3084
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 51 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(9-14(19(26)28)17-15(21)3-2-4-16(17)22)10-23-20(25-18)24-12-5-7-13(27)8-6-12/h2-10,27H,1H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
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| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303221
(6-(2,6-dichlorophenyl)-2-(4-iodophenylamino)-8-met...)Show SMILES Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)| Show InChI InChI=1S/C20H13Cl2IN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303231
(6-(2,6-dichlorophenyl)-2-(3-ethylphenylamino)-8-me...)Show SMILES CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)| Show InChI InChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27) | PDB
MMDB
KEGG
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| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303227
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(19.66,-4.1,;20.99,-3.33,;21,-1.79,;22.32,-1.02,;23.66,-1.79,;23.67,-3.33,;22.33,-4.1,;24.99,-1.02,;24.99,.52,;26.33,-1.79,;26.32,-3.33,;27.66,-4.1,;28.99,-3.33,;30.33,-4.1,;31.66,-3.33,;31.65,-1.79,;32.98,-1.02,;34.32,-1.78,;35.65,-1.02,;36.98,-1.78,;38.3,-1,;38.29,.53,;36.95,1.29,;39.62,1.31,;40.96,.54,;40.97,-1,;39.64,-1.77,;39.64,-3.31,;36.98,-3.32,;38.32,-4.09,;35.65,-4.09,;35.65,-5.63,;34.32,-3.33,;32.99,-4.1,;28.99,-1.78,;27.65,-1.02,)| Show InChI InChI=1S/C26H24Cl2N6O2/c1-32-10-12-34(13-11-32)24(35)16-6-8-18(9-7-16)30-26-29-15-17-14-19(25(36)33(2)23(17)31-26)22-20(27)4-3-5-21(22)28/h3-9,14-15H,10-13H2,1-2H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303230
(3-amino-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-ox...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(28.74,-40.46,;28.74,-38.92,;27.41,-38.15,;26.08,-38.92,;24.76,-38.15,;23.42,-38.92,;22.09,-38.15,;20.75,-38.93,;19.42,-38.15,;19.42,-36.61,;18.08,-35.84,;16.75,-36.61,;16.75,-38.15,;15.42,-35.84,;14.08,-36.61,;12.75,-35.84,;20.75,-35.84,;22.08,-36.6,;24.74,-36.61,;26.07,-35.84,;27.41,-36.61,;28.74,-35.84,;30.07,-36.6,;31.39,-35.83,;31.39,-34.29,;30.05,-33.53,;32.71,-33.51,;34.06,-34.28,;34.06,-35.82,;32.73,-36.59,;32.74,-38.13,;30.08,-38.15,;31.41,-38.91,)| Show InChI InChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30) | PDB
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| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303222
(6-(2,6-dichlorophenyl)-8-methyl-2-(4-(3,4,5-trihyd...)Show SMILES Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)| Show InChI InChI=1S/C26H24Cl2N4O7/c1-32-23-12(9-15(24(32)37)19-16(27)3-2-4-17(19)28)10-29-26(31-23)30-13-5-7-14(8-6-13)38-25-22(36)21(35)20(34)18(11-33)39-25/h2-10,18,20-22,25,33-36H,11H2,1H3,(H,29,30,31) | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303234
(CHEMBL565801 | N-(3-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM6569
(6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8...)Show SMILES Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)| Show InChI InChI=1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303228
(CHEMBL565609 | tert-butyl 3-(4-(6-(2,6-dichlorophe...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)| Show InChI InChI=1S/C28H28Cl2N6O4/c1-28(2,3)40-27(39)31-13-12-22(37)33-17-8-10-18(11-9-17)34-26-32-15-16-14-19(25(38)36(4)24(16)35-26)23-20(29)6-5-7-21(23)30/h5-11,14-15H,12-13H2,1-4H3,(H,31,39)(H,33,37)(H,32,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303232
(6-(2,6-dichlorophenyl)-2-(3-((2,3-dihydroxypropoxy...)Show SMILES Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)| Show InChI InChI=1S/C24H22Cl2N4O4/c1-30-22-15(9-18(23(30)33)21-19(25)6-3-7-20(21)26)10-27-24(29-22)28-16-5-2-4-14(8-16)12-34-13-17(32)11-31/h2-10,17,31-32H,11-13H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303221
(6-(2,6-dichlorophenyl)-2-(4-iodophenylamino)-8-met...)Show SMILES Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)| Show InChI InChI=1S/C20H13Cl2IN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| n/a | n/a | 341 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303229
(6-(2,6-dichlorophenyl)-2-(4-(2,3-dihydroxypropylam...)Show SMILES Cn1c2nc(Nc3ccc(NCC(O)CO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(15.19,-18.34,;15.19,-16.8,;13.86,-16.03,;12.53,-16.81,;11.2,-16.04,;9.87,-16.81,;8.53,-16.04,;7.19,-16.81,;5.86,-16.04,;5.86,-14.5,;4.53,-13.73,;3.19,-14.5,;1.86,-13.73,;1.86,-12.19,;.53,-14.5,;-.81,-13.73,;7.19,-13.73,;8.53,-14.49,;11.19,-14.5,;12.51,-13.73,;13.86,-14.49,;15.18,-13.72,;16.52,-14.49,;17.84,-13.71,;17.83,-12.18,;16.49,-11.42,;19.15,-11.4,;20.5,-12.17,;20.5,-13.71,;19.17,-14.48,;19.18,-16.02,;16.52,-16.03,;17.86,-16.8,)| Show InChI InChI=1S/C23H21Cl2N5O3/c1-30-21-13(9-17(22(30)33)20-18(24)3-2-4-19(20)25)10-27-23(29-21)28-15-7-5-14(6-8-15)26-11-16(32)12-31/h2-10,16,26,31-32H,11-12H2,1H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50303226
(2-chloro-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-o...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)| Show InChI InChI=1S/C22H16Cl3N5O2/c1-30-20-12(9-15(21(30)32)19-16(24)3-2-4-17(19)25)11-26-22(29-20)28-14-7-5-13(6-8-14)27-18(31)10-23/h2-9,11H,10H2,1H3,(H,27,31)(H,26,28,29) | PDB
MMDB
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| CHEMBL
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| n/a | n/a | 433 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM3079
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 46 | 6-(2,...)Show SMILES Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)| Show InChI InChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 488 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303224
(2-(4-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3ccc(N)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.54,-27.86,;3.54,-26.32,;2.21,-25.55,;.88,-26.33,;-.44,-25.56,;-1.78,-26.33,;-3.11,-25.56,;-4.45,-26.33,;-5.78,-25.56,;-5.78,-24.02,;-7.12,-23.25,;-4.45,-23.25,;-3.12,-24.01,;-.46,-24.02,;.87,-23.25,;2.21,-24.01,;3.54,-23.24,;4.87,-24.01,;6.19,-23.23,;6.19,-21.7,;4.85,-20.94,;7.51,-20.92,;8.86,-21.69,;8.86,-23.23,;7.53,-24,;7.54,-25.54,;4.88,-25.55,;6.21,-26.32,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3079
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 46 | 6-(2,...)Show SMILES Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)| Show InChI InChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 492 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM3085
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
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| Purchase
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MCE
MMDB
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PubMed
| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50303231
(6-(2,6-dichlorophenyl)-2-(3-ethylphenylamino)-8-me...)Show SMILES CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)| Show InChI InChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 752 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant P38alpha |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303221
(6-(2,6-dichlorophenyl)-2-(4-iodophenylamino)-8-met...)Show SMILES Cn1c2nc(Nc3ccc(I)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.42,-5.46,;2.42,-3.92,;1.09,-3.15,;-.24,-3.92,;-1.56,-3.15,;-2.9,-3.92,;-4.23,-3.15,;-5.57,-3.93,;-6.9,-3.15,;-6.9,-1.61,;-8.24,-.84,;-5.57,-.84,;-4.24,-1.6,;-1.58,-1.61,;-.25,-.84,;1.09,-1.61,;2.42,-.84,;3.75,-1.6,;5.07,-.83,;5.07,.71,;3.73,1.47,;6.39,1.49,;7.74,.72,;7.74,-.82,;6.41,-1.59,;6.42,-3.13,;3.76,-3.15,;5.09,-3.91,)| Show InChI InChI=1S/C20H13Cl2IN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | 766 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6569
(6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8...)Show SMILES Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)| Show InChI InChI=1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 921 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303225
(CHEMBL566850 | N-(4-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(12.66,-24.01,;14,-24.78,;14,-26.32,;15.33,-24.01,;16.67,-24.78,;16.66,-26.32,;18,-27.1,;19.33,-26.32,;20.67,-27.09,;22,-26.32,;21.99,-24.78,;23.32,-24.01,;24.66,-24.78,;25.99,-24.01,;27.32,-24.77,;28.64,-24,;28.63,-22.46,;27.29,-21.7,;29.96,-21.68,;31.3,-22.45,;31.31,-23.99,;29.98,-24.76,;29.98,-26.3,;27.32,-26.32,;28.66,-27.08,;25.99,-27.09,;25.99,-28.63,;24.66,-26.32,;23.33,-27.09,;19.33,-24.77,;17.99,-24.01,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-6-8-15(9-7-14)27-22-25-11-13-10-16(21(31)29(2)20(13)28-22)19-17(23)4-3-5-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303223
(6-(2,6-dichlorophenyl)-2-(4-(2-hydroxyethyl)phenyl...)Show SMILES Cn1c2nc(Nc3ccc(CCO)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(25.94,-17.71,;25.94,-16.17,;24.6,-15.4,;23.28,-16.18,;21.95,-15.41,;20.62,-16.18,;19.28,-15.41,;17.94,-16.18,;16.61,-15.41,;16.61,-13.87,;15.28,-13.1,;15.28,-11.56,;13.94,-10.79,;17.94,-13.1,;19.27,-13.86,;21.94,-13.87,;23.26,-13.1,;24.61,-13.86,;25.93,-13.09,;27.26,-13.86,;28.59,-13.08,;28.58,-11.55,;27.24,-10.79,;29.9,-10.77,;31.25,-11.54,;31.25,-13.08,;29.92,-13.85,;29.93,-15.39,;27.27,-15.4,;28.6,-16.17,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303226
(2-chloro-N-(4-(6-(2,6-dichlorophenyl)-8-methyl-7-o...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.94,-40.11,;4.94,-38.57,;3.61,-37.8,;2.28,-38.57,;.96,-37.8,;-.38,-38.57,;-1.71,-37.8,;-3.05,-38.58,;-4.38,-37.8,;-4.38,-36.26,;-5.72,-35.49,;-7.05,-36.26,;-7.05,-37.8,;-8.38,-35.49,;-9.72,-36.26,;-3.05,-35.49,;-1.72,-36.25,;.94,-36.26,;2.27,-35.49,;3.61,-36.26,;4.94,-35.49,;6.27,-36.25,;7.59,-35.48,;7.59,-33.94,;6.25,-33.18,;8.91,-33.16,;10.26,-33.93,;10.26,-35.47,;8.93,-36.24,;8.94,-37.78,;6.28,-37.8,;7.61,-38.56,)| Show InChI InChI=1S/C22H16Cl3N5O2/c1-30-20-12(9-15(21(30)32)19-16(24)3-2-4-17(19)25)11-26-22(29-20)28-14-7-5-13(6-8-14)27-18(31)10-23/h2-9,11H,10H2,1H3,(H,27,31)(H,26,28,29) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303234
(CHEMBL565801 | N-(3-(6-(2,6-dichlorophenyl)-8-meth...)Show SMILES CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM3079
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 46 | 6-(2,...)Show SMILES Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)| Show InChI InChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303233
(2-(3-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)Show SMILES Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.69,-30.93,;1.69,-29.39,;.36,-28.62,;-.97,-29.39,;-2.3,-28.62,;-3.63,-29.39,;-4.96,-28.63,;-4.97,-27.08,;-6.3,-26.31,;-7.63,-27.08,;-7.63,-28.63,;-8.97,-29.4,;-6.3,-29.4,;-2.31,-27.09,;-.98,-26.31,;.36,-27.08,;1.69,-26.31,;3.02,-27.07,;4.34,-26.3,;4.33,-24.76,;3,-24,;5.66,-23.99,;7,-24.75,;7.01,-26.29,;5.68,-27.07,;5.68,-28.61,;3.03,-28.62,;4.36,-29.39,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(8-14(19(27)28)17-15(21)6-3-7-16(17)22)10-24-20(26-18)25-13-5-2-4-12(23)9-13/h2-10H,23H2,1H3,(H,24,25,26) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM3083
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 50 | 6-(2,...)Show SMILES Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(8-14(19(26)28)17-15(21)6-3-7-16(17)22)10-23-20(25-18)24-12-4-2-5-13(27)9-12/h2-10,27H,1H3,(H,23,24,25) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303232
(6-(2,6-dichlorophenyl)-2-(3-((2,3-dihydroxypropoxy...)Show SMILES Cn1c2nc(Nc3cccc(COCC(O)CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(27.07,-18.27,;27.07,-16.73,;25.74,-15.96,;24.41,-16.73,;23.08,-15.96,;21.75,-16.73,;20.42,-15.96,;20.41,-14.41,;19.08,-13.65,;17.75,-14.42,;17.74,-15.96,;16.41,-16.73,;15.08,-15.96,;13.74,-16.73,;12.41,-15.96,;12.41,-14.42,;11.08,-16.73,;9.74,-15.96,;19.08,-16.74,;23.07,-14.42,;24.4,-13.65,;25.74,-14.42,;27.07,-13.65,;28.4,-14.41,;29.72,-13.64,;29.71,-12.1,;28.37,-11.34,;31.04,-11.32,;32.38,-12.09,;32.39,-13.63,;31.06,-14.4,;31.06,-15.94,;28.41,-15.96,;29.74,-16.72,)| Show InChI InChI=1S/C24H22Cl2N4O4/c1-30-22-15(9-18(23(30)33)21-19(25)6-3-7-20(21)26)10-27-24(29-22)28-16-5-2-4-14(8-16)12-34-13-17(32)11-31/h2-10,17,31-32H,11-13H2,1H3,(H,27,28,29) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM3084
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 51 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(9-14(19(26)28)17-15(21)3-2-4-16(17)22)10-23-20(25-18)24-12-5-7-13(27)8-6-12/h2-10,27H,1H3,(H,23,24,25) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303228
(CHEMBL565609 | tert-butyl 3-(4-(6-(2,6-dichlorophe...)Show SMILES Cn1c2nc(Nc3ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(11.49,-5.91,;11.49,-4.37,;10.16,-3.6,;8.83,-4.37,;7.5,-3.6,;6.17,-4.37,;4.84,-3.6,;3.5,-4.38,;2.17,-3.61,;2.17,-2.06,;.83,-1.29,;-.5,-2.06,;-.5,-3.6,;-1.83,-1.29,;-3.17,-2.06,;-4.5,-1.29,;-5.83,-2.06,;-5.83,-3.6,;-7.17,-1.29,;-8.5,-2.06,;-9.84,-1.29,;-8.5,-3.6,;-9.85,-2.82,;3.5,-1.29,;4.83,-2.05,;7.49,-2.06,;8.82,-1.29,;10.16,-2.06,;11.49,-1.29,;12.82,-2.05,;14.14,-1.28,;14.13,.26,;12.8,1.02,;15.46,1.03,;16.8,.27,;16.81,-1.27,;15.48,-2.05,;15.48,-3.59,;12.83,-3.6,;14.16,-4.36,)| Show InChI InChI=1S/C28H28Cl2N6O4/c1-28(2,3)40-27(39)31-13-12-22(37)33-17-8-10-18(11-9-17)34-26-32-15-16-14-19(25(38)36(4)24(16)35-26)23-20(29)6-5-7-21(23)30/h5-11,14-15H,12-13H2,1-4H3,(H,31,39)(H,33,37)(H,32,34,35) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50303231
(6-(2,6-dichlorophenyl)-2-(3-ethylphenylamino)-8-me...)Show SMILES CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-9.87,-15.85,;-8.54,-16.62,;-7.21,-15.85,;-7.2,-14.3,;-5.88,-13.53,;-4.54,-14.3,;-4.54,-15.85,;-3.2,-16.61,;-1.87,-15.84,;-1.88,-14.31,;-.55,-13.53,;.79,-14.3,;2.12,-13.53,;3.45,-14.29,;4.77,-13.52,;4.76,-11.99,;3.42,-11.22,;6.09,-11.21,;7.43,-11.97,;7.44,-13.51,;6.11,-14.29,;6.11,-15.83,;3.45,-15.84,;4.79,-16.61,;2.12,-16.61,;2.12,-18.15,;.79,-15.84,;-.54,-16.61,;-5.87,-16.62,)| Show InChI InChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27) | PDB
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Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-Kit |
Bioorg Med Chem Lett 19: 6872-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4 |
More data for this
Ligand-Target Pair | |
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