Found 51 hits of Enzyme Inhibition Constant Data 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 |
|---|
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293993
((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(4-(trifluo...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2cncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C21H15F3N6O/c1-13-2-3-15(20(31)29-18-9-16(4-6-26-18)21(22,23)24)8-14(13)5-7-30-12-28-17-10-25-11-27-19(17)30/h2-12H,1H3,(H,26,29,31)/b7-5+ | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293992
((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(3-(4-methy...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7O/c1-16-3-4-19(7-18(16)5-6-35-15-33-23-11-30-13-31-24(23)35)25(37)34-21-8-20(26(27,28)29)9-22(10-21)36-12-17(2)32-14-36/h3-15H,1-2H3,(H,34,37)/b6-5+ | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293992
((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(3-(4-methy...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7O/c1-16-3-4-19(7-18(16)5-6-35-15-33-23-11-30-13-31-24(23)35)25(37)34-21-8-20(26(27,28)29)9-22(10-21)36-12-17(2)32-14-36/h3-15H,1-2H3,(H,34,37)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293993
((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(4-(trifluo...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2cncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C21H15F3N6O/c1-13-2-3-15(20(31)29-18-9-16(4-6-26-18)21(22,23)24)8-14(13)5-7-30-12-28-17-10-25-11-27-19(17)30/h2-12H,1H3,(H,26,29,31)/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293999
((E)-N-(3-(2-(6-(4-(Dimethylphosphoryl)phenylamino)...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C30H26F3N6O2P/c1-19-7-8-24(38-29(40)21-5-4-6-22(15-21)30(31,32)33)16-20(19)13-14-39-18-36-26-27(34-17-35-28(26)39)37-23-9-11-25(12-10-23)42(2,3)41/h4-18H,1-3H3,(H,38,40)(H,34,35,37)/b14-13+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293997
((E)-N-(4-Methyl-3-(2-(6-(pyrid-4-yl-amino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncc3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-5-6-22(36-26(38)19-3-2-4-20(13-19)27(28,29)30)14-18(17)9-12-37-16-34-23-24(32-15-33-25(23)37)35-21-7-10-31-11-8-21/h2-16H,1H3,(H,36,38)(H,31,32,33,35)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294005
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(C)(C)C Show InChI InChI=1S/C28H30N6O/c1-18-8-9-20(27(35)33-23-7-5-6-21(15-23)28(2,3)4)14-19(18)12-13-34-17-31-24-25(32-22-10-11-22)29-16-30-26(24)34/h5-9,12-17,22H,10-11H2,1-4H3,(H,33,35)(H,29,30,32)/b13-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293999
((E)-N-(3-(2-(6-(4-(Dimethylphosphoryl)phenylamino)...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C30H26F3N6O2P/c1-19-7-8-24(38-29(40)21-5-4-6-22(15-21)30(31,32)33)16-20(19)13-14-39-18-36-26-27(34-17-35-28(26)39)37-23-9-11-25(12-10-23)42(2,3)41/h4-18H,1-3H3,(H,38,40)(H,34,35,37)/b14-13+ | 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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294008
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C25H27N7O2/c1-15-5-6-17(24(33)30-20-12-19(34-31-20)25(2,3)4)11-16(15)9-10-32-14-28-21-22(29-18-7-8-18)26-13-27-23(21)32/h5-6,9-14,18H,7-8H2,1-4H3,(H,26,27,29)(H,30,31,33)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294010
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C24H20F3N7O/c1-14-2-3-16(23(35)33-19-11-17(6-8-28-19)24(25,26)27)10-15(14)7-9-34-13-31-20-21(32-18-4-5-18)29-12-30-22(20)34/h2-3,6-13,18H,4-5H2,1H3,(H,28,33,35)(H,29,30,32)/b9-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294011
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294012
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C28H23F3N8O/c1-17-2-3-19(27(40)37-22-11-20(28(29,30)31)12-23(13-22)38-9-7-32-15-38)10-18(17)6-8-39-16-35-24-25(36-21-4-5-21)33-14-34-26(24)39/h2-3,6-16,21H,4-5H2,1H3,(H,37,40)(H,33,34,36)/b8-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293996
((E)-N-(4-Methyl-3-(2-(6-(pyrid-3-yl-amino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3cccnc3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-7-8-21(36-26(38)19-4-2-5-20(12-19)27(28,29)30)13-18(17)9-11-37-16-34-23-24(32-15-33-25(23)37)35-22-6-3-10-31-14-22/h2-16H,1H3,(H,36,38)(H,32,33,35)/b11-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293997
((E)-N-(4-Methyl-3-(2-(6-(pyrid-4-yl-amino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncc3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-5-6-22(36-26(38)19-3-2-4-20(13-19)27(28,29)30)14-18(17)9-12-37-16-34-23-24(32-15-33-25(23)37)35-21-7-10-31-11-8-21/h2-16H,1H3,(H,36,38)(H,31,32,33,35)/b12-9+ | 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 | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294001
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-17(24(35)33-20-4-2-3-18(12-20)25(26,27)28)11-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294012
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C28H23F3N8O/c1-17-2-3-19(27(40)37-22-11-20(28(29,30)31)12-23(13-22)38-9-7-32-15-38)10-18(17)6-8-39-16-35-24-25(36-21-4-5-21)33-14-34-26(24)39/h2-3,6-16,21H,4-5H2,1H3,(H,37,40)(H,33,34,36)/b8-6+ | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294010
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C24H20F3N7O/c1-14-2-3-16(23(35)33-19-11-17(6-8-28-19)24(25,26)27)10-15(14)7-9-34-13-31-20-21(32-18-4-5-18)29-12-30-22(20)34/h2-3,6-13,18H,4-5H2,1H3,(H,28,33,35)(H,29,30,32)/b9-7+ | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294001
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-17(24(35)33-20-4-2-3-18(12-20)25(26,27)28)11-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+ | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294008
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C25H27N7O2/c1-15-5-6-17(24(33)30-20-12-19(34-31-20)25(2,3)4)11-16(15)9-10-32-14-28-21-22(29-18-7-8-18)26-13-27-23(21)32/h5-6,9-14,18H,7-8H2,1-4H3,(H,26,27,29)(H,30,31,33)/b10-9+ | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294014
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H31F3N8O/c1-19-3-4-21(13-20(19)7-8-41-18-36-26-27(37-23-5-6-23)34-17-35-28(26)41)29(42)38-24-14-22(30(31,32)33)15-25(16-24)40-11-9-39(2)10-12-40/h3-4,7-8,13-18,23H,5-6,9-12H2,1-2H3,(H,38,42)(H,34,35,37)/b8-7+ | 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 | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294016
((E)-N-(4-Methyl-3-(2-(6-(methylamino)-9Hpurin-9-yl...)Show SMILES CNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C23H19F3N6O/c1-14-6-7-18(31-22(33)16-4-3-5-17(10-16)23(24,25)26)11-15(14)8-9-32-13-30-19-20(27-2)28-12-29-21(19)32/h3-13H,1-2H3,(H,31,33)(H,27,28,29)/b9-8+ | 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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294011
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293996
((E)-N-(4-Methyl-3-(2-(6-(pyrid-3-yl-amino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3cccnc3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-7-8-21(36-26(38)19-4-2-5-20(12-19)27(28,29)30)13-18(17)9-11-37-16-34-23-24(32-15-33-25(23)37)35-22-6-3-10-31-14-22/h2-16H,1H3,(H,36,38)(H,32,33,35)/b11-9+ | 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 | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293998
((E)-N-(4-Methyl-3-(2-(6-(pyrimid-4-yl-amino)-9H-pu...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncn3)ncnc12 Show InChI InChI=1S/C26H19F3N8O/c1-16-5-6-20(35-25(38)18-3-2-4-19(11-18)26(27,28)29)12-17(16)8-10-37-15-34-22-23(32-14-33-24(22)37)36-21-7-9-30-13-31-21/h2-15H,1H3,(H,35,38)(H,30,31,32,33,36)/b10-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294013
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C29H28F3N7O2/c1-18-2-3-20(12-19(18)6-7-39-17-35-25-26(36-22-4-5-22)33-16-34-27(25)39)28(40)37-23-13-21(29(30,31)32)14-24(15-23)38-8-10-41-11-9-38/h2-3,6-7,12-17,22H,4-5,8-11H2,1H3,(H,37,40)(H,33,34,36)/b7-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294004
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N6O/c1-14-2-3-16(24(36)34-18-6-7-20(26)19(11-18)25(27,28)29)10-15(14)8-9-35-13-32-21-22(33-17-4-5-17)30-12-31-23(21)35/h2-3,6-13,17H,4-5H2,1H3,(H,34,36)(H,30,31,33)/b9-8+ | 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 | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293998
((E)-N-(4-Methyl-3-(2-(6-(pyrimid-4-yl-amino)-9H-pu...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccncn3)ncnc12 Show InChI InChI=1S/C26H19F3N8O/c1-16-5-6-20(35-25(38)18-3-2-4-19(11-18)26(27,28)29)12-17(16)8-10-37-15-34-22-23(32-14-33-24(22)37)36-21-7-9-30-13-31-21/h2-15H,1H3,(H,35,38)(H,30,31,32,33,36)/b10-8+ | 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 | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294014
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H31F3N8O/c1-19-3-4-21(13-20(19)7-8-41-18-36-26-27(37-23-5-6-23)34-17-35-28(26)41)29(42)38-24-14-22(30(31,32)33)15-25(16-24)40-11-9-39(2)10-12-40/h3-4,7-8,13-18,23H,5-6,9-12H2,1-2H3,(H,38,42)(H,34,35,37)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294004
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N6O/c1-14-2-3-16(24(36)34-18-6-7-20(26)19(11-18)25(27,28)29)10-15(14)8-9-35-13-32-21-22(33-17-4-5-17)30-12-31-23(21)35/h2-3,6-13,17H,4-5H2,1H3,(H,34,36)(H,30,31,33)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294009
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(nn1C)C(C)(C)C Show InChI InChI=1S/C26H30N8O/c1-16-6-7-18(25(35)31-21-13-20(26(2,3)4)32-33(21)5)12-17(16)10-11-34-15-29-22-23(30-19-8-9-19)27-14-28-24(22)34/h6-7,10-15,19H,8-9H2,1-5H3,(H,31,35)(H,27,28,30)/b11-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294006
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)c1 Show InChI InChI=1S/C27H28N6O/c1-17(2)19-5-4-6-23(14-19)32-27(34)21-8-7-18(3)20(13-21)11-12-33-16-30-24-25(31-22-9-10-22)28-15-29-26(24)33/h4-8,11-17,22H,9-10H2,1-3H3,(H,32,34)(H,28,29,31)/b12-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294016
((E)-N-(4-Methyl-3-(2-(6-(methylamino)-9Hpurin-9-yl...)Show SMILES CNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C23H19F3N6O/c1-14-6-7-18(31-22(33)16-4-3-5-17(10-16)23(24,25)26)11-15(14)8-9-32-13-30-19-20(27-2)28-12-29-21(19)32/h3-13H,1-2H3,(H,31,33)(H,27,28,29)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294005
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(C)(C)C Show InChI InChI=1S/C28H30N6O/c1-18-8-9-20(27(35)33-23-7-5-6-21(15-23)28(2,3)4)14-19(18)12-13-34-17-31-24-25(32-22-10-11-22)29-16-30-26(24)34/h5-9,12-17,22H,10-11H2,1-4H3,(H,33,35)(H,29,30,32)/b13-12+ | 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 | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294006
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)c1 Show InChI InChI=1S/C27H28N6O/c1-17(2)19-5-4-6-23(14-19)32-27(34)21-8-7-18(3)20(13-21)11-12-33-16-30-24-25(31-22-9-10-22)28-15-29-26(24)33/h4-8,11-17,22H,9-10H2,1-3H3,(H,32,34)(H,28,29,31)/b12-11+ | 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 | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294002
((E)-1-(3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vi...)Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H22F3N7O/c1-15-5-6-20(34-24(36)33-19-4-2-3-17(12-19)25(26,27)28)11-16(15)9-10-35-14-31-21-22(32-18-7-8-18)29-13-30-23(21)35/h2-6,9-14,18H,7-8H2,1H3,(H,29,30,32)(H2,33,34,36)/b10-9+ | 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 | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294013
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C29H28F3N7O2/c1-18-2-3-20(12-19(18)6-7-39-17-35-25-26(36-22-4-5-22)33-16-34-27(25)39)28(40)37-23-13-21(29(30,31)32)14-24(15-23)38-8-10-41-11-9-38/h2-3,6-7,12-17,22H,4-5,8-11H2,1H3,(H,37,40)(H,33,34,36)/b7-6+ | 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 | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293994
((E)-N-(4-Methyl-3-(2-(6-(cyclopropylamino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-20(33-24(35)17-3-2-4-18(11-17)25(26,27)28)12-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+ | 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 | 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294003
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C25H20F4N6O/c1-14-2-3-16(24(36)34-20-11-17(25(27,28)29)4-7-19(20)26)10-15(14)8-9-35-13-32-21-22(33-18-5-6-18)30-12-31-23(21)35/h2-4,7-13,18H,5-6H2,1H3,(H,34,36)(H,30,31,33)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293994
((E)-N-(4-Methyl-3-(2-(6-(cyclopropylamino)-9H-puri...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-20(33-24(35)17-3-2-4-18(11-17)25(26,27)28)12-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294015
(CHEMBL550623 | N-(4-Methyl-3-(2-(6-(methylamino)-9...)Show SMILES CNc1ncnc2n(CCc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C23H21F3N6O/c1-14-6-7-18(31-22(33)16-4-3-5-17(10-16)23(24,25)26)11-15(14)8-9-32-13-30-19-20(27-2)28-12-29-21(19)32/h3-7,10-13H,8-9H2,1-2H3,(H,31,33)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294009
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(nn1C)C(C)(C)C Show InChI InChI=1S/C26H30N8O/c1-16-6-7-18(25(35)31-21-13-20(26(2,3)4)32-33(21)5)12-17(16)10-11-34-15-29-22-23(30-19-8-9-19)27-14-28-24(22)34/h6-7,10-15,19H,8-9H2,1-5H3,(H,31,35)(H,27,28,30)/b11-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294000
((E)-N-(4-Methyl-3-(2-(6-(3-(N',N''-dimethylamino)p...)Show SMILES CN(C)CCCNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C27H28F3N7O/c1-18-8-9-22(35-26(38)20-6-4-7-21(14-20)27(28,29)30)15-19(18)10-13-37-17-34-23-24(32-16-33-25(23)37)31-11-5-12-36(2)3/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,35,38)(H,31,32,33)/b13-10+ | 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 | 1.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294000
((E)-N-(4-Methyl-3-(2-(6-(3-(N',N''-dimethylamino)p...)Show SMILES CN(C)CCCNc1ncnc2n(\C=C\c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C27H28F3N7O/c1-18-8-9-22(35-26(38)20-6-4-7-21(14-20)27(28,29)30)15-19(18)10-13-37-17-34-23-24(32-16-33-25(23)37)31-11-5-12-36(2)3/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,35,38)(H,31,32,33)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50293995
((E)-N-(4-Methyl-3-(2-(6-(pyridine-2-yl-amino)-9H-p...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccccn3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-8-9-21(35-26(38)19-5-4-6-20(13-19)27(28,29)30)14-18(17)10-12-37-16-34-23-24(32-15-33-25(23)37)36-22-7-2-3-11-31-22/h2-16H,1H3,(H,35,38)(H,31,32,33,36)/b12-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294003
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C25H20F4N6O/c1-14-2-3-16(24(36)34-20-11-17(25(27,28)29)4-7-19(20)26)10-15(14)8-9-35-13-32-21-22(33-18-5-6-18)30-12-31-23(21)35/h2-4,7-13,18H,5-6H2,1H3,(H,34,36)(H,30,31,33)/b9-8+ | 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 | 2.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50293995
((E)-N-(4-Methyl-3-(2-(6-(pyridine-2-yl-amino)-9H-p...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(Nc3ccccn3)ncnc12 Show InChI InChI=1S/C27H20F3N7O/c1-17-8-9-21(35-26(38)19-5-4-6-20(13-19)27(28,29)30)14-18(17)10-12-37-16-34-23-24(32-15-33-25(23)37)36-22-7-2-3-11-31-22/h2-16H,1H3,(H,35,38)(H,31,32,33,36)/b12-10+ | 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 | 2.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50294007
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ncc(s1)C(C)(C)C Show InChI InChI=1S/C25H27N7OS/c1-15-5-6-17(23(33)31-24-26-12-19(34-24)25(2,3)4)11-16(15)9-10-32-14-29-20-21(30-18-7-8-18)27-13-28-22(20)32/h5-6,9-14,18H,7-8H2,1-4H3,(H,26,31,33)(H,27,28,30)/b10-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294015
(CHEMBL550623 | N-(4-Methyl-3-(2-(6-(methylamino)-9...)Show SMILES CNc1ncnc2n(CCc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cnc12 Show InChI InChI=1S/C23H21F3N6O/c1-14-6-7-18(31-22(33)16-4-3-5-17(10-16)23(24,25)26)11-15(14)8-9-32-13-30-19-20(27-2)28-12-29-21(19)32/h3-7,10-13H,8-9H2,1-2H3,(H,31,33)(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294007
((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...)Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1ncc(s1)C(C)(C)C Show InChI InChI=1S/C25H27N7OS/c1-15-5-6-17(23(33)31-24-26-12-19(34-24)25(2,3)4)11-16(15)9-10-32-14-29-20-21(30-18-7-8-18)27-13-28-22(20)32/h5-6,9-14,18H,7-8H2,1-4H3,(H,26,31,33)(H,27,28,30)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50294002
((E)-1-(3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vi...)Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1\C=C\n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C25H22F3N7O/c1-15-5-6-20(34-24(36)33-19-4-2-3-17(12-19)25(26,27)28)11-16(15)9-10-35-14-31-21-22(32-18-7-8-18)29-13-30-23(21)35/h2-6,9-14,18H,7-8H2,1H3,(H,29,30,32)(H2,33,34,36)/b10-9+ | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 5.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t
BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
More data for this
Ligand-Target Pair | |
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