Found 30 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)) | BDBM50221547
(4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H28ClN5O/c1-18-15-20(23-17-22(34)10-11-24(23)28)16-25-26(18)30-27(32-31-25)29-21-8-6-19(7-9-21)5-4-14-33-12-2-3-13-33/h6-11,15-17,34H,2-5,12-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221559
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O3S/c1-18-15-19(23-17-21(35)7-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-8-22(9-6-20)38(36,37)33(2)13-14-34-11-3-4-12-34/h5-10,15-17,35H,3-4,11-14H2,1-2H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221565
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C28H31ClN6O3S/c1-3-35(15-14-34-12-4-5-13-34)39(37,38)23-9-6-21(7-10-23)30-28-31-27-19(2)16-20(17-26(27)32-33-28)24-18-22(36)8-11-25(24)29/h6-11,16-18,36H,3-5,12-15H2,1-2H3,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221557
((4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C26H25ClN6O2/c1-16-13-18(21-15-20(34)7-8-22(21)27)14-23-24(16)29-26(31-30-23)28-19-5-3-17(4-6-19)25(35)33-11-9-32(2)10-12-33/h3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221562
(4-(7-(2-bromo-5-hydroxyphenyl)-5-methylbenzo[e][1,...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Br Show InChI InChI=1S/C26H27BrN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50221566
(4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221549
(4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221566
(4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221563
((4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H23ClN6O2/c1-15-12-17(20-14-19(33)6-7-21(20)26)13-22-23(15)29-25(31-30-22)28-18-4-2-16(3-5-18)24(34)32-10-8-27-9-11-32/h2-7,12-14,27,33H,8-11H2,1H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221555
(4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)CCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H28ClN5O3S/c1-18-15-19(23-17-21(34)7-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-8-22(9-6-20)37(35,36)14-4-13-33-11-2-3-12-33/h5-10,15-17,34H,2-4,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221558
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H27ClN6O2/c1-17-14-19(22-16-21(35)8-9-23(22)28)15-24-25(17)31-27(33-32-24)30-20-6-4-18(5-7-20)26(36)29-10-13-34-11-2-3-12-34/h4-9,14-16,35H,2-3,10-13H2,1H3,(H,29,36)(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221560
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C29H33ClN6O3S/c1-19(2)36(15-14-35-12-4-5-13-35)40(38,39)24-9-6-22(7-10-24)31-29-32-28-20(3)16-21(17-27(28)33-34-29)25-18-23(37)8-11-26(25)30/h6-11,16-19,37H,4-5,12-15H2,1-3H3,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221553
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221550
(4-(7-(2,6-difluoro-3-hydroxyphenyl)-5-methylbenzo[...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(F)ccc(O)c1F Show InChI InChI=1S/C26H26F2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221561
(4-chloro-3-(3-(4-(1-(2-(diethylamino)ethyl)piperid...)Show SMILES CCN(CC)CCN1CCC(CC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C31H37ClN6O3S/c1-4-37(5-2)16-17-38-14-12-26(13-15-38)42(40,41)25-9-6-23(7-10-25)33-31-34-30-21(3)18-22(19-29(30)35-36-31)27-20-24(39)8-11-28(27)32/h6-11,18-20,26,39H,4-5,12-17H2,1-3H3,(H,33,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221556
(4-chloro-3-(5-methyl-3-(4-(piperidin-4-ylsulfonyl)...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H24ClN5O3S/c1-15-12-16(21-14-18(32)4-7-22(21)26)13-23-24(15)29-25(31-30-23)28-17-2-5-19(6-3-17)35(33,34)20-8-10-27-11-9-20/h2-7,12-14,20,27,32H,8-11H2,1H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221552
(CHEMBL249819 | US8481536, 545 | {4-[7-(2-chloro-5-...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H22ClN5O4S/c1-15-12-17(20-14-19(32)6-7-21(20)26)13-22-23(15)28-25(30-29-22)27-18-4-2-16(3-5-18)24(33)31-8-10-36(34,35)11-9-31/h2-7,12-14,32H,8-11H2,1H3,(H,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221551
(4-chloro-3-(5-methyl-3-(4-(piperazin-1-ylsulfonyl)...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C24H23ClN6O3S/c1-15-12-16(20-14-18(32)4-7-21(20)25)13-22-23(15)28-24(30-29-22)27-17-2-5-19(6-3-17)35(33,34)31-10-8-26-9-11-31/h2-7,12-14,26,32H,8-11H2,1H3,(H,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198826
(4-(7-(2-chloro-6-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(O)cccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33/h4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221564
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O4S/c1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34/h3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50193874
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221554
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C20H16ClN5O3S/c1-11-8-12(16-10-14(27)4-7-17(16)21)9-18-19(11)24-20(26-25-18)23-13-2-5-15(6-3-13)30(22,28)29/h2-10,27H,1H3,(H2,22,28,29)(H,23,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50193874
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198786
(4-(7-(5-amino-2-chlorophenyl)-5-methylbenzo[e][1,2...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(N)ccc1Cl Show InChI InChI=1S/C26H28ClN7O2S/c1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34/h4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221548
(4-(7-(1H-indol-4-yl)-5-methylbenzo[e][1,2,4]triazi...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C28H29N7O2S/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221546
(4-(7-(2,6-dichloro-3-hydroxyphenyl)-5-methylbenzo[...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1Cl Show InChI InChI=1S/C26H26Cl2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50198813
(7-(2-chlorophenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl Show InChI InChI=1S/C26H26ClN5O/c1-18-16-19(22-6-2-3-7-23(22)27)17-24-25(18)29-26(31-30-24)28-20-8-10-21(11-9-20)33-15-14-32-12-4-5-13-32/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198813
(7-(2-chlorophenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl Show InChI InChI=1S/C26H26ClN5O/c1-18-16-19(22-6-2-3-7-23(22)27)17-24-25(18)29-26(31-30-24)28-20-8-10-21(11-9-20)33-15-14-32-12-4-5-13-32/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043
BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this
Ligand-Target Pair | |
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