Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50027680 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 |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to SRC (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ABL (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to LCK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to Aurora A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to PKC beta2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to Aurora A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 1A
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to TRAK-A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to FGFR1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to Aurora A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ECK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to CLK1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to VEGFR2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to SRC (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MAP3K9 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to Aurora A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ABL (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to SRC (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 1A
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to TRAK-A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MAP3K9 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MST2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to BTK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to LCK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MAP3K9 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 1A
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to TRAK-A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to CLK1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to VEGFR2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 1A
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to TRAK-A (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MST2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MST2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to PKC beta2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50255048
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12| Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to PKC beta2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to PKC beta2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to CLK1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to CLK1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to BTK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to BTK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to BTK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to MAP3K9 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to VEGFR2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to VEGFR2 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ECK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ECK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ECK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50255049
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5| Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to FGFR1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to FGFR1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to FGFR1 (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to LCK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to LCK (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50255013
((S)-5-((2,4-diamino-4-oxobutanamido)methyl)-3,4-di...)Show SMILES N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r| Show InChI InChI=1S/C18H16F3IN4O4/c19-10-4-8(22)1-2-12(10)26-16-9(18(29)30)3-7(14(20)15(16)21)6-25-17(28)11(23)5-13(24)27/h1-4,11,26H,5-6,23H2,(H2,24,27)(H,25,28)(H,29,30)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ABL (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50255012
(5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...)Show SMILES CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1 Show InChI InChI=1S/C22H18F3IN2O4S/c1-33(31,32)15-5-2-12(3-6-15)10-27-11-13-8-16(22(29)30)21(20(25)19(13)24)28-18-7-4-14(26)9-17(18)23/h2-9,27-28H,10-11H2,1H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to ABL (unknown origin) |
Bioorg Med Chem Lett 19: 226-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98 |
More data for this Ligand-Target Pair | |