Found 7 hits of ec50 data for polymerid = 5809 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of ALK by cellular assay |
Proc Natl Acad Sci USA 104: 19936-41 (2007)
Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 575 | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... |
Bioorg Med Chem 22: 1303-12 (2014)
Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50242740
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of ALK by cellular assay |
Proc Natl Acad Sci USA 104: 19936-41 (2007)
Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... |
Bioorg Med Chem 22: 1303-12 (2014)
Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of ALK L1152R mutant in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay in presence of osimertinib |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50436850
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) | PDB
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UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.49E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of ALK L1152R mutant in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... |
Bioorg Med Chem 22: 1303-12 (2014)
Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |