Found 111 hits of ic50 for UniProtKB: P00520 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 |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323918
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase ABL1
(Mus musculus) | 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
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| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323919
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 62.6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323921
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50468206
(CHEMBL4291675)Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany AS CR
Curated by ChEMBL
| Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 127: 632-642 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323920
(CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 572 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | 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
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| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50187716
(CHEMBL3735648)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged recombinant mouse ABL (27 to 1123 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate i... |
Eur J Med Chem 118: 244-9 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.046 BindingDB Entry DOI: 10.7270/Q2Q81G02 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BaF3-BCL cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method |
J Med Chem 54: 6342-63 (2011)
Article DOI: 10.1021/jm2007613 BindingDB Entry DOI: 10.7270/Q2Q52Q09 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451309
(CHEMBL4215496)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451307
(CHEMBL4203110)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-9-11-31(12-10-30)15-7-8-17(20(13-15)32-2)26-22-25-14-16(23)21(27-22)33-19-6-4-3-5-18(19)28-29-24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451279
(CHEMBL4207305)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451299
(CHEMBL4209119)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCOCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)25-10-13-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-11-8-24(9-12-26)35-30(40)14-19-42-22-23-6-4-3-5-7-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451300
(CHEMBL4210744)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451300
(CHEMBL4210744)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(N)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451294
(CHEMBL4215164)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-9-11-32(12-10-31)18-6-7-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-5-3-4-17(14-19)28-23(34)8-13-33/h3-7,14-16,33H,8-13H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451296
(CHEMBL4203804)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-4-7-19(8-5-17)34-23-20(25)15-26-24(29-23)28-21-9-6-18(14-22(21)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451298
(CHEMBL4211573)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451291
(CHEMBL4208712)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451305
(CHEMBL4210237)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-19-7-5-6-8-21(19)35-24-18(26)16-27-25(30-24)29-20-10-9-17(15-22(20)34-3)32-13-11-31(2)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451292
(CHEMBL4202413)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-13-15-38(16-14-37)24-11-12-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-10-6-9-23(17-25)34-29(39)21-41-20-22-7-4-3-5-8-22/h3-12,17-19H,13-16,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451293
(CHEMBL4204937)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451293
(CHEMBL4204937)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCOCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C32H35ClN6O4/c1-38-14-16-39(17-15-38)25-11-12-28(29(20-25)41-2)36-32-34-21-27(33)31(37-32)43-26-10-6-9-24(19-26)35-30(40)13-18-42-22-23-7-4-3-5-8-23/h3-12,19-21H,13-18,22H2,1-2H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50468201
(CHEMBL4292491)Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany AS CR
Curated by ChEMBL
| Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 127: 632-642 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451285
(CHEMBL4214040)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451295
(CHEMBL4205469)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H25ClN6O2/c1-28-9-11-29(12-10-28)16-5-8-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-6-3-15(24)4-7-17/h3-8,13-14H,9-12,24H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451292
(CHEMBL4202413)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)COCc3ccccc3)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-13-15-38(16-14-37)24-11-12-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-10-6-9-23(17-25)34-29(39)21-41-20-22-7-4-3-5-8-22/h3-12,17-19H,13-16,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451296
(CHEMBL4203804)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-4-7-19(8-5-17)34-23-20(25)15-26-24(29-23)28-21-9-6-18(14-22(21)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50084036
(CHEMBL3425671)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(C)=O)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-17-5-4-6-19(13-17)34-23-20(25)15-26-24(29-23)28-21-8-7-18(14-22(21)33-3)31-11-9-30(2)10-12-31/h4-8,13-15H,9-12H2,1-3H3,(H,27,32)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451305
(CHEMBL4210237)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)C=C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-19-7-5-6-8-21(19)35-24-18(26)16-27-25(30-24)29-20-10-9-17(15-22(20)34-3)32-13-11-31(2)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,28,33)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451310
(CHEMBL4218320)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H19N3O/c1-2-7-16(8-3-1)15-21-12-14-24-22-20-17-9-4-5-10-18(17)23-13-6-11-19(20)23/h1-11,13,21H,12,14-15H2/b22-20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451310
(CHEMBL4218320)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H19N3O/c1-2-7-16(8-3-1)15-21-12-14-24-22-20-17-9-4-5-10-18(17)23-13-6-11-19(20)23/h1-11,13,21H,12,14-15H2/b22-20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451282
(CHEMBL4217686)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)18-5-8-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-6-3-17(4-7-19)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451282
(CHEMBL4217686)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CCO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)18-5-8-21(22(15-18)35-2)29-25-27-16-20(26)24(30-25)36-19-6-3-17(4-7-19)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451297
(CHEMBL4216551)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)\C=C\CN(C)C)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)13-5-6-26(37)31-20-7-10-22(11-8-20)39-27-23(29)19-30-28(33-27)32-24-12-9-21(18-25(24)38-4)36-16-14-35(3)15-17-36/h5-12,18-19H,13-17H2,1-4H3,(H,31,37)(H,30,32,33)/b6-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451280
(CHEMBL4208167)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451309
(CHEMBL4215496)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)COCc2ccccc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C15H17N3O/c1-17(2)10-11-19-16-15-12-6-3-4-7-13(12)18-9-5-8-14(15)18/h3-9H,10-11H2,1-2H3/b16-15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451298
(CHEMBL4211573)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)COCc3ccccc3)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33ClN6O4/c1-37-14-16-38(17-15-37)24-10-13-27(28(18-24)40-2)35-31-33-19-26(32)30(36-31)42-25-11-8-23(9-12-25)34-29(39)21-41-20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20-21H2,1-2H3,(H,34,39)(H,33,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451291
(CHEMBL4208712)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29ClN6O4/c1-31-10-12-32(13-11-31)17-7-8-20(22(15-17)35-2)29-25-27-16-18(26)24(30-25)36-21-6-4-3-5-19(21)28-23(34)9-14-33/h3-8,15-16,33H,9-14H2,1-2H3,(H,28,34)(H,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451301
(CHEMBL4214620)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(c2)N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-8-10-31(11-9-30)16-6-7-19(20(13-16)32-2)26-22-25-14-18(23)21(27-22)33-17-5-3-4-15(12-17)28-29-24/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451288
(CHEMBL4212450)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CO)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)16-7-8-19(21(13-16)34-2)28-24-26-14-17(25)23(29-24)35-20-6-4-3-5-18(20)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451301
(CHEMBL4214620)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(c2)N=[N+]=[N-])n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN8O2/c1-30-8-10-31(11-9-30)16-6-7-19(20(13-16)32-2)26-22-25-14-18(23)21(27-22)33-17-5-3-4-15(12-17)28-29-24/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451297
(CHEMBL4216551)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)\C=C\CN(C)C)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)13-5-6-26(37)31-20-7-10-22(11-8-20)39-27-23(29)19-30-28(33-27)32-24-12-9-21(18-25(24)38-4)36-16-14-35(3)15-17-36/h5-12,18-19H,13-17H2,1-4H3,(H,31,37)(H,30,32,33)/b6-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50451306
(CHEMBL4216265)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(C)=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O3/c1-16(32)27-19-6-4-5-7-21(19)34-23-18(25)15-26-24(29-23)28-20-9-8-17(14-22(20)33-3)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,26,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | |