Found 17 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)) | BDBM50437688
(CHEMBL2408511)Show SMILES Oc1cc(OCC(=O)Nc2ccc(Br)cn2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C22H15BrN2O5/c23-14-6-7-20(24-11-14)25-21(28)12-29-15-8-16(26)22-17(27)10-18(30-19(22)9-15)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,24,25,28) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437689
(CHEMBL2408510)Show SMILES Cc1ccnc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1 Show InChI InChI=1S/C23H18N2O5/c1-14-7-8-24-21(9-14)25-22(28)13-29-16-10-17(26)23-18(27)12-19(30-20(23)11-16)15-5-3-2-4-6-15/h2-12,26H,13H2,1H3,(H,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437681
(CHEMBL2408501)Show SMILES Oc1cc(OCC(=O)Nc2ccc(Br)cc2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C23H16BrNO5/c24-15-6-8-16(9-7-15)25-22(28)13-29-17-10-18(26)23-19(27)12-20(30-21(23)11-17)14-4-2-1-3-5-14/h1-12,26H,13H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437682
(CHEMBL2408500)Show SMILES Cc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1 Show InChI InChI=1S/C24H19NO5/c1-15-7-9-17(10-8-15)25-23(28)14-29-18-11-19(26)24-20(27)13-21(30-22(24)12-18)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,28) | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437690
(CHEMBL2408509)Show SMILES Cc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)nc1 Show InChI InChI=1S/C23H18N2O5/c1-14-7-8-21(24-12-14)25-22(28)13-29-16-9-17(26)23-18(27)11-19(30-20(23)10-16)15-5-3-2-4-6-15/h2-12,26H,13H2,1H3,(H,24,25,28) | 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 | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437678
(CHEMBL2408504)Show SMILES COc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1 Show InChI InChI=1S/C24H19NO6/c1-29-17-9-5-8-16(10-17)25-23(28)14-30-18-11-19(26)24-20(27)13-21(31-22(24)12-18)15-6-3-2-4-7-15/h2-13,26H,14H2,1H3,(H,25,28) | 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 | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437680
(CHEMBL2408502)Show SMILES Oc1cc(OCC(=O)Nc2cccc(Br)c2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C23H16BrNO5/c24-15-7-4-8-16(9-15)25-22(28)13-29-17-10-18(26)23-19(27)12-20(30-21(23)11-17)14-5-2-1-3-6-14/h1-12,26H,13H2,(H,25,28) | 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 | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437687
(CHEMBL2408495)Show SMILES Oc1cc(OCC(=O)Nc2cc(Br)ccn2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C22H15BrN2O5/c23-14-6-7-24-20(8-14)25-21(28)12-29-15-9-16(26)22-17(27)11-18(30-19(22)10-15)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,24,25,28) | 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 | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437686
(CHEMBL2408496)Show SMILES Cc1cc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)ncc1Br Show InChI InChI=1S/C23H17BrN2O5/c1-13-7-21(25-11-16(13)24)26-22(29)12-30-15-8-17(27)23-18(28)10-19(31-20(23)9-15)14-5-3-2-4-6-14/h2-11,27H,12H2,1H3,(H,25,26,29) | 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 | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437683
(CHEMBL2408499)Show SMILES Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1 Show InChI InChI=1S/C24H19NO5/c1-15-6-5-9-17(10-15)25-23(28)14-29-18-11-19(26)24-20(27)13-21(30-22(24)12-18)16-7-3-2-4-8-16/h2-13,26H,14H2,1H3,(H,25,28) | 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 | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437684
(CHEMBL2408498)Show SMILES Oc1cc(OCC(=O)Nc2ncccc2F)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C22H15FN2O5/c23-15-7-4-8-24-22(15)25-20(28)12-29-14-9-16(26)21-17(27)11-18(30-19(21)10-14)13-5-2-1-3-6-13/h1-11,26H,12H2,(H,24,25,28) | 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 | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437677
(CHEMBL2408505)Show SMILES Oc1cc(OCC(=O)NCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C24H19NO5/c26-19-11-18(29-15-23(28)25-14-16-7-3-1-4-8-16)12-22-24(19)20(27)13-21(30-22)17-9-5-2-6-10-17/h1-13,26H,14-15H2,(H,25,28) | 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 | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437692
(CHEMBL2408507)Show SMILES Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N2O5/c1-14-6-5-9-21(24-14)25-22(28)13-29-16-10-17(26)23-18(27)12-19(30-20(23)11-16)15-7-3-2-4-8-15/h2-12,26H,13H2,1H3,(H,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437691
(CHEMBL2408508)Show SMILES Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2cc(F)ccc2F)n1 Show InChI InChI=1S/C23H16F2N2O5/c1-12-3-2-4-21(26-12)27-22(30)11-31-14-8-17(28)23-18(29)10-19(32-20(23)9-14)15-7-13(24)5-6-16(15)25/h2-10,28H,11H2,1H3,(H,26,27,30) | 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 | 4.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437676
(CHEMBL2408506)Show SMILES Oc1cc(OCC(=O)NCCN2CCOCC2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C23H24N2O6/c26-18-12-17(30-15-22(28)24-6-7-25-8-10-29-11-9-25)13-21-23(18)19(27)14-20(31-21)16-4-2-1-3-5-16/h1-5,12-14,26H,6-11,15H2,(H,24,28) | 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 | 4.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437685
(CHEMBL2408497)Show SMILES Oc1cc(OCC(=O)Nc2ccccn2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C22H16N2O5/c25-16-10-15(28-13-21(27)24-20-8-4-5-9-23-20)11-19-22(16)17(26)12-18(29-19)14-6-2-1-3-7-14/h1-12,25H,13H2,(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50437679
(CHEMBL2408503)Show SMILES Oc1cc(OCC(=O)Nc2ccccc2Br)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C23H16BrNO5/c24-16-8-4-5-9-17(16)25-22(28)13-29-15-10-18(26)23-19(27)12-20(30-21(23)11-15)14-6-2-1-3-7-14/h1-12,26H,13H2,(H,25,28) | 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 | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of wild-type ABL1 (unknown origin) |
Bioorg Med Chem Lett 23: 4324-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.095
BindingDB Entry DOI: 10.7270/Q2XS5WTB |
More data for this
Ligand-Target Pair | |
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