Found 32 hits with Last Name = 'hamasaki' and Initial = 't' 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 |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of wild-type HIV1 Reverse transcriptase |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase T165A mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase T165A mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of wild-type HIV1 Reverse transcriptase |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50483329
(CHEMBL1650290)Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50370655
(CHEMBL485652)Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant |
Antimicrob Agents Chemother 53: 4640-6 (2009)
Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50178611
(3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...)Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50208747
((R)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...)Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m1/s1 | PDB MMDB
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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50178615
(CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50178615
(CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50208748
((4-(((S)-3-((dimethylamino)methyl)pyrrolidin-1-yl)...)Show SMILES CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20| Show InChI InChI=1S/C31H35F3N8O/c1-20-4-7-25(13-28(20)40-30-37-10-8-27(39-30)24-14-35-19-36-15-24)38-29(43)22-5-6-23(26(12-22)31(32,33)34)18-42-11-9-21(17-42)16-41(2)3/h4-8,10,12-15,19,21,29,38,43H,9,11,16-18H2,1-3H3,(H,37,39,40)/t21-,29?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50178614
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50178614
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50178612
((S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50178611
(3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...)Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50208747
((R)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...)Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m1/s1 | PDB MMDB
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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50178612
((S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50208746
((4-((3-(dimethylamino)azetidin-1-yl)methyl)-3-(tri...)Show SMILES CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18| Show InChI InChI=1S/C29H31F3N8O/c1-18-4-7-22(11-26(18)38-28-35-9-8-25(37-28)21-12-33-17-34-13-21)36-27(41)19-5-6-20(24(10-19)29(30,31)32)14-40-15-23(16-40)39(2)3/h4-13,17,23,27,36,41H,14-16H2,1-3H3,(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50208748
((4-(((S)-3-((dimethylamino)methyl)pyrrolidin-1-yl)...)Show SMILES CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20| Show InChI InChI=1S/C31H35F3N8O/c1-20-4-7-25(13-28(20)40-30-37-10-8-27(39-30)24-14-35-19-36-15-24)38-29(43)22-5-6-23(26(12-22)31(32,33)34)18-42-11-9-21(17-42)16-41(2)3/h4-8,10,12-15,19,21,29,38,43H,9,11,16-18H2,1-3H3,(H,37,39,40)/t21-,29?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50178617
(3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...)Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50178617
(3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...)Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50208746
((4-((3-(dimethylamino)azetidin-1-yl)methyl)-3-(tri...)Show SMILES CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18| Show InChI InChI=1S/C29H31F3N8O/c1-18-4-7-22(11-26(18)38-28-35-9-8-25(37-28)21-12-33-17-34-13-21)36-27(41)19-5-6-20(24(10-19)29(30,31)32)14-40-15-23(16-40)39(2)3/h4-13,17,23,27,36,41H,14-16H2,1-3H3,(H,35,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB MMDB
Reactome pathway 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human Abl kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 2712-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |