Found 405 hits with Last Name = 'quail' and Initial = 'm' 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 |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385593
(CHEMBL2042694)Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193812
(CHEMBL3908493)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385602
(CHEMBL2042983)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393620
(CHEMBL2158531)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r| Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50347070
(CHEMBL1796257)Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 |r| Show InChI InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 3877-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.040 BindingDB Entry DOI: 10.7270/Q2F76CX0 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393619
(CHEMBL2158530)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1 Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389156
(CHEMBL2064722)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16| Show InChI InChI=1S/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393618
(CHEMBL2158528)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353042
(CHEMBL1822521)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385591
(CHEMBL2042981)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193817
(CHEMBL3918616)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334593
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334601
(2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...)Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334604
(2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...)Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334595
(5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334593
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio... |
J Med Chem 55: 4580-93 (2012)
Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393617
(CHEMBL2158519)Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353041
(CHEMBL1822520)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334606
(2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...)Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334594
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385601
(CHEMBL2042982)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385598
(CHEMBL2042828)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193822
(CHEMBL3972807)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393615
(CHEMBL2158526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393616
(CHEMBL2158525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1 Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50347053
(CHEMBL1796254)Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1 |r| Show InChI InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 3877-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.040 BindingDB Entry DOI: 10.7270/Q2F76CX0 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334603
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1 Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50361205
(CHEMBL1934334)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H30N6O3/c1-35-24-6-4-3-5-21(24)23-10-8-20-16-29-27(31-33(20)23)30-22-9-7-19(15-25(22)36-2)18-11-13-32(14-12-18)17-26(28)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,28,34)(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393614
(CHEMBL2158529)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12 Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334602
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1 Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of ALK |
Bioorg Med Chem Lett 21: 463-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393613
(CHEMBL2158518)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193815
(CHEMBL3943236)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |