Found 24 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)) | BDBM50187566
(4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...)Show InChI InChI=1S/C17H14IN3OS/c18-14-9-7-13(8-10-14)16(22)19-17-21-20-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21,22) | 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 |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187579
(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...)Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187569
(4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...)Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187573
(3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...)Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187573
(3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...)Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187575
(4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...)Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187569
(4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...)Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187570
(4-(2-(benzyloxy)benzylidene)-1-phenylpyrazolidine-...)Show SMILES O=C1NN(C(=O)C1=Cc1ccccc1OCc1ccccc1)c1ccccc1 |w:7.8| Show InChI InChI=1S/C23H18N2O3/c26-22-20(23(27)25(24-22)19-12-5-2-6-13-19)15-18-11-7-8-14-21(18)28-16-17-9-3-1-4-10-17/h1-15H,16H2,(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187574
(4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...)Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187577
(4-(4-(diethylamino)-2-hydroxybenzylidene)-1-(4-iod...)Show SMILES CCN(CC)c1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)c(O)c1 |w:9.8| Show InChI InChI=1S/C20H20IN3O3/c1-3-23(4-2)16-8-5-13(18(25)12-16)11-17-19(26)22-24(20(17)27)15-9-6-14(21)7-10-15/h5-12,25H,3-4H2,1-2H3,(H,22,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187572
(4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...)Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187565
(2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...)Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187568
(2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)...)Show InChI InChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187576
(BAS-4844343 | CHEMBL207672 | N-(5-((1H-indol-3-yl)...)Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 Show InChI InChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187565
(2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...)Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187571
(2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...)Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187579
(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...)Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187578
(BAS-0338868 | CHEMBL378903 | N-(5-phenethyl-1,3,4-...)Show InChI InChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187571
(2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...)Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187575
(4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...)Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187574
(4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...)Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50187572
(4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...)Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Src |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187580
(4-(4-morpholinobenzylidene)-1-(4-iodophenyl)pyrazo...)Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O |w:12.13| Show InChI InChI=1S/C20H18IN3O3/c21-15-3-7-17(8-4-15)24-20(26)18(19(25)22-24)13-14-1-5-16(6-2-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50187567
(1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylurea | ...)Show InChI InChI=1S/C16H14N4OS/c21-15(17-13-9-5-2-6-10-13)18-16-20-19-14(22-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant Abl |
J Med Chem 49: 3278-86 (2006)
Article DOI: 10.1021/jm060236z
BindingDB Entry DOI: 10.7270/Q2TH8M9R |
More data for this
Ligand-Target Pair | |
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