Found 26 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 |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224371
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(e...)Show SMILES CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19Cl2N5S/c1-2-29-21-26-19(25-16-10-6-9-15(22)11-16)17-12-24-28(20(17)27-21)13-18(23)14-7-4-3-5-8-14/h3-12,18H,2,13H2,1H3,(H,25,26,27) | 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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224368
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(m...)Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50142880
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...)Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | 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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224376
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(p...)Show SMILES CCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C22H21Cl2N5S/c1-2-11-30-22-27-20(26-17-10-6-9-16(23)12-17)18-13-25-29(21(18)28-22)14-19(24)15-7-4-3-5-8-15/h3-10,12-13,19H,2,11,14H2,1H3,(H,26,27,28) | 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 |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224385
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenyl...)Show InChI InChI=1S/C20H18ClN5S/c1-27-20-24-18(23-15-10-6-3-7-11-15)16-12-22-26(19(16)25-20)13-17(21)14-8-4-2-5-9-14/h2-12,17H,13H2,1H3,(H,23,24,25) | 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 |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224381
(1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...)Show SMILES CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224388
(CHEMBL238561 | N-(3-bromophenyl)-1-(2-chloro-2-phe...)Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:18.19| Show InChI InChI=1S/C20H17BrClN5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224383
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-6-(methylthio...)Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:19.20| Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-15-5-3-2-4-6-15)18-13-26-29(21(18)28-22)14-19(24)16-7-9-17(23)10-8-16/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224374
(CHEMBL241749 | N-benzyl-1-(2-chloro-2-(4-chlorophe...)Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1 |w:18.19| Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-5-3-2-4-6-14)17-12-25-28(20(17)27-21)13-18(23)15-7-9-16(22)10-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224387
(1-(2-chloro-2-phenylethyl)-N-(2-chlorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-15-9-5-6-10-17(15)22)16-12-25-28(20(16)27-21)13-18(23)14-7-3-2-4-8-14/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50142885
(Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...)Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224366
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-1H-p...)Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)ncnc12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C19H15Cl2N5/c20-14-7-4-8-15(9-14)25-18-16-10-24-26(19(16)23-12-22-18)11-17(21)13-5-2-1-3-6-13/h1-10,12,17H,11H2,(H,22,23,25) | 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 |
Università degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224367
(1-(2-chloro-2-phenylethyl)-N-(2-chlorophenethyl)-6...)Show SMILES CSc1nc(NCCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-16-9-5-6-10-18(16)23)17-13-26-29(21(17)28-22)14-19(24)15-7-3-2-4-8-15/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224386
(CHEMBL399813 | N-(4-methoxyphenethyl)-1-(2-chloro-...)Show SMILES COc1ccc(CCNc2nc(SC)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:18.18| Show InChI InChI=1S/C23H24ClN5OS/c1-30-18-10-8-16(9-11-18)12-13-25-21-19-14-26-29(22(19)28-23(27-21)31-2)15-20(24)17-6-4-3-5-7-17/h3-11,14,20H,12-13,15H2,1-2H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224382
(CHEMBL399627 | N-(3-bromophenyl)-1-(2-chloro-2-(4-...)Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1 |w:18.19| Show InChI InChI=1S/C20H16BrClFN5S/c1-29-20-26-18(25-15-4-2-3-13(21)9-15)16-10-24-28(19(16)27-20)11-17(22)12-5-7-14(23)8-6-12/h2-10,17H,11H2,1H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224372
(1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-7-9-16(23)10-8-14)17-12-25-28(20(17)27-21)13-18(22)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224384
(1-(2-chloro-2-phenylethyl)-N-(3-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-6-5-9-16(23)10-14)17-12-25-28(20(17)27-21)13-18(22)15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224380
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenethyl)-6...)Show SMILES CSc1nc(NCCc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-11-10-15-6-5-9-17(23)12-15)18-13-26-29(21(18)28-22)14-19(24)16-7-3-2-4-8-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224369
(1-(2-chloro-2-phenylethyl)-6-(ethylthio)-N-pheneth...)Show SMILES CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C23H24ClN5S/c1-2-30-23-27-21(25-14-13-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.50E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224373
(1-(2-chloro-2-phenylethyl)-N-(3-fluorophenethyl)-6...)Show SMILES CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C22H21ClFN5S/c1-30-22-27-20(25-11-10-15-6-5-9-17(24)12-15)18-13-26-29(21(18)28-22)14-19(23)16-7-3-2-4-8-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224379
(1-(2-chloro-2-phenylethyl)-N-(4-methylphenethyl)-6...)Show SMILES CSc1nc(NCCc2ccc(C)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C23H24ClN5S/c1-16-8-10-17(11-9-16)12-13-25-21-19-14-26-29(22(19)28-23(27-21)30-2)15-20(24)18-6-4-3-5-7-18/h3-11,14,20H,12-13,15H2,1-2H3,(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224377
(1-(2-chloro-2-phenylethyl)-N-(2-fluorobenzyl)-6-(m...)Show SMILES CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-15-9-5-6-10-18(15)23)16-12-25-28(20(16)27-21)13-17(22)14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224378
(CHEMBL239192 | N-(4-chlorobenzyl)-1-(2-chloro-2-ph...)Show SMILES CSc1nc(NCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 |w:19.20| Show InChI InChI=1S/C21H19Cl2N5S/c1-29-21-26-19(24-11-14-7-9-16(22)10-8-14)17-12-25-28(20(17)27-21)13-18(23)15-5-3-2-4-6-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224375
(CHEMBL401038 | N-(4-chlorophenethyl)-7-(2-chloro-2...)Show SMILES CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C23H22Cl2N4S/c1-30-23-27-21(26-13-11-16-7-9-18(24)10-8-16)19-12-14-29(22(19)28-23)15-20(25)17-5-3-2-4-6-17/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50224370
(CHEMBL241750 | N-benzyl-1-(2-chloro-2-(4-fluorophe...)Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1 |w:18.19| Show InChI InChI=1S/C21H19ClFN5S/c1-29-21-26-19(24-11-14-5-3-2-4-6-14)17-12-25-28(20(17)27-21)13-18(22)15-7-9-16(23)10-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+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
Inhibition of human recombinant Src |
J Med Chem 50: 5579-88 (2007)
Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW |
More data for this
Ligand-Target Pair | |
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