Found 18 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)) | BDBM50343427
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343430
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343431
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343430
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343431
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343421
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343429
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C27H31ClN6OS/c28-24(22-9-5-2-6-10-22)20-34-26-23(19-30-34)25(29-12-11-21-7-3-1-4-8-21)31-27(32-26)36-18-15-33-13-16-35-17-14-33/h1-10,19,24H,11-18,20H2,(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343426
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50354486
(CHEMBL411043)Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343428
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343421
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50183347
(2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-...)Show InChI InChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343427
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50354486
(CHEMBL411043)Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50343426
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of c-Src |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50390208
(CHEMBL203493)Show InChI InChI=1S/C21H19N5/c1-3-7-17(8-4-1)11-13-22-20-19-15-25-26(21(19)24-16-23-20)14-12-18-9-5-2-6-10-18/h1-10,12,14-16H,11,13H2,(H,22,23,24)/b14-12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50354486
(CHEMBL411043)Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 expressed in porcine aortic endothelial cells |
Bioorg Med Chem Lett 22: 5579-83 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7 |
More data for this
Ligand-Target Pair | |
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