Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50003681 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/ABL2
(Homo sapiens (Human)) | BDBM6096
(3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6096
(3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6095
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6094
(3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-15(5-7-31)14-34-24-10-20-17(8-23(24)33-3)25(16(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,15H,4-7,14H2,1-3H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6102
(4-[(2-Chloro-5-methoxyphenyl)amino]-6-methoxy-7-[(...)Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C25H27ClN4O3/c1-30-8-6-16(7-9-30)15-33-24-12-21-19(11-23(24)32-3)25(17(13-27)14-28-21)29-22-10-18(31-2)4-5-20(22)26/h4-5,10-12,14,16H,6-9,15H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
MMDB
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6099
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-5-15(13-31)14-34-24-9-20-17(7-23(24)33-3)25(16(11-28)12-29-20)30-21-10-22(32-2)19(27)8-18(21)26/h7-10,12,15H,4-6,13-14H2,1-3H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6094
(3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-15(5-7-31)14-34-24-10-20-17(8-23(24)33-3)25(16(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,15H,4-7,14H2,1-3H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6095
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6105
(4-phenylamino-3-quinolinecarbonitrile 23 | 6-Metho...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C Show InChI InChI=1S/C27H32N4O3/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6103
(4-phenylamino-3-quinolinecarbonitrile 21 | 6-Metho...)Show SMILES COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6099
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-5-15(13-31)14-34-24-9-20-17(7-23(24)33-3)25(16(11-28)12-29-20)30-21-10-22(32-2)19(27)8-18(21)26/h7-10,12,15H,4-6,13-14H2,1-3H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6101
(3-quinolinecarbonitrile 20 | 4-phenylamino-3-quino...)Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C27H32N4O5/c1-31-8-6-17(7-9-31)16-36-23-13-21-20(12-22(23)32-2)26(18(14-28)15-29-21)30-19-10-24(33-3)27(35-5)25(11-19)34-4/h10-13,15,17H,6-9,16H2,1-5H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6102
(4-[(2-Chloro-5-methoxyphenyl)amino]-6-methoxy-7-[(...)Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C25H27ClN4O3/c1-30-8-6-16(7-9-30)15-33-24-12-21-19(11-23(24)32-3)25(17(13-27)14-28-21)29-22-10-18(31-2)4-5-20(22)26/h4-5,10-12,14,16H,6-9,15H2,1-3H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6105
(4-phenylamino-3-quinolinecarbonitrile 23 | 6-Metho...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C Show InChI InChI=1S/C27H32N4O3/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6100
(3-quinolinecarbonitrile 19 | 4-[(2,4-Dichloropheny...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H24Cl2N4O2/c1-30-7-5-15(6-8-30)14-32-23-11-21-18(10-22(23)31-2)24(16(12-27)13-28-21)29-20-4-3-17(25)9-19(20)26/h3-4,9-11,13,15H,5-8,14H2,1-2H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6100
(3-quinolinecarbonitrile 19 | 4-[(2,4-Dichloropheny...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H24Cl2N4O2/c1-30-7-5-15(6-8-30)14-32-23-11-21-18(10-22(23)31-2)24(16(12-27)13-28-21)29-20-4-3-17(25)9-19(20)26/h3-4,9-11,13,15H,5-8,14H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6103
(4-phenylamino-3-quinolinecarbonitrile 21 | 6-Metho...)Show SMILES COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29) | PDB
MMDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6101
(3-quinolinecarbonitrile 20 | 4-phenylamino-3-quino...)Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C27H32N4O5/c1-31-8-6-17(7-9-31)16-36-23-13-21-20(12-22(23)32-2)26(18(14-28)15-29-21)30-19-10-24(33-3)27(35-5)25(11-19)34-4/h10-13,15,17H,6-9,16H2,1-5H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6104
(4-[(2,4-Dimethylphenyl)amino]-6-methoxy-7-[(1-meth...)Show SMILES COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C26H30N4O2/c1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6098
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6104
(4-[(2,4-Dimethylphenyl)amino]-6-methoxy-7-[(1-meth...)Show SMILES COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C26H30N4O2/c1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6098
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6097
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6097
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6106
(4-[(2,4-Dichloro-5-ethoxyphenyl)amino]-6-methoxy-7...)Show SMILES CCOc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O3/c1-4-34-23-12-22(19(27)10-20(23)28)31-26-17(13-29)14-30-21-11-25(24(33-3)9-18(21)26)35-15-16-5-7-32(2)8-6-16/h9-12,14,16H,4-8,15H2,1-3H3,(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1/ABL2
(Homo sapiens (Human)) | BDBM6106
(4-[(2,4-Dichloro-5-ethoxyphenyl)amino]-6-methoxy-7...)Show SMILES CCOc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O3/c1-4-34-23-12-22(19(27)10-20(23)28)31-26-17(13-29)14-30-21-11-25(24(33-3)9-18(21)26)35-15-16-5-7-32(2)8-6-16/h9-12,14,16H,4-8,15H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
J Med Chem 47: 1599-601 (2004)
Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD |
More data for this
Ligand-Target Pair | |
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