Found 38 hits with Last Name = 'yao' and Initial = 'yf' 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 |
|---|
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016095
(CHEMBL3261192)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2c(F)cccc2Cl)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H17ClFN3O6/c23-16-4-2-5-17(24)14(16)7-8-19-25-13-20(27(29)30)26(19)9-10-33-22(28)15-3-1-6-18-21(15)32-12-11-31-18/h1-8,13H,9-12H2/b8-7- | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016096
(CHEMBL3261193)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc3ccccc23)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C26H21N3O6/c30-26(21-9-4-10-22-25(21)34-16-15-33-22)35-14-13-28-23(27-17-24(28)29(31)32)12-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-12,17H,13-16H2/b12-11- | 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 | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016084
(CHEMBL3261182)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Br)cc2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18BrN3O6/c23-16-7-4-15(5-8-16)6-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)17-2-1-3-18-21(17)31-13-12-30-18/h1-9,14H,10-13H2/b9-6- | 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 | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50005480
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056757
(CHEMBL3331011)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Cl)cc2Cl)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H16Cl2N4O4/c23-15-7-5-14(18(24)11-15)6-8-20-26-13-21(28(30)31)27(20)9-10-32-22(29)17-12-25-19-4-2-1-3-16(17)19/h1-8,11-13,25H,9-10H2/b8-6- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016080
(CHEMBL3261178)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(Cl)c2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18ClN3O6/c23-16-4-1-3-15(13-16)7-8-19-24-14-20(26(28)29)25(19)9-10-32-22(27)17-5-2-6-18-21(17)31-12-11-30-18/h1-8,13-14H,9-12H2/b8-7- | 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 | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016085
(CHEMBL3261183)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2F)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18FN3O6/c23-17-6-2-1-4-15(17)8-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)16-5-3-7-18-21(16)31-13-12-30-18/h1-9,14H,10-13H2/b9-8- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016087
(CHEMBL3261184)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(F)c2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18FN3O6/c23-16-4-1-3-15(13-16)7-8-19-24-14-20(26(28)29)25(19)9-10-32-22(27)17-5-2-6-18-21(17)31-12-11-30-18/h1-8,13-14H,9-12H2/b8-7- | 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 | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056748
(CHEMBL3331002)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17N5O6/c28-22(17-13-23-18-7-3-2-6-16(17)18)33-12-11-25-20(24-14-21(25)27(31)32)10-9-15-5-1-4-8-19(15)26(29)30/h1-10,13-14,23H,11-12H2/b10-9- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016079
(CHEMBL3260970)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2Cl)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18ClN3O6/c23-17-6-2-1-4-15(17)8-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)16-5-3-7-18-21(16)31-13-12-30-18/h1-9,14H,10-13H2/b9-8- | 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 | 6.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056750
(CHEMBL3331004)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(cc2)[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17N5O6/c28-22(18-13-23-19-4-2-1-3-17(18)19)33-12-11-25-20(24-14-21(25)27(31)32)10-7-15-5-8-16(9-6-15)26(29)30/h1-10,13-14,23H,11-12H2/b10-7- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016088
(CHEMBL3261185)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(F)cc2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18FN3O6/c23-16-7-4-15(5-8-16)6-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)17-2-1-3-18-21(17)31-13-12-30-18/h1-9,14H,10-13H2/b9-6- | 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 | 8.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016083
(CHEMBL3261181)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(Br)c2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18BrN3O6/c23-16-4-1-3-15(13-16)7-8-19-24-14-20(26(28)29)25(19)9-10-32-22(27)17-5-2-6-18-21(17)31-12-11-30-18/h1-8,13-14H,9-12H2/b8-7- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016082
(CHEMBL3261180)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2Br)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18BrN3O6/c23-17-6-2-1-4-15(17)8-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)16-5-3-7-18-21(16)31-13-12-30-18/h1-9,14H,10-13H2/b9-8- | 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 | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016090
(CHEMBL3261187)Show SMILES Cc1cccc(\C=C/c2ncc(n2CCOC(=O)c2cccc3OCCOc23)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H21N3O6/c1-16-4-2-5-17(14-16)8-9-20-24-15-21(26(28)29)25(20)10-11-32-23(27)18-6-3-7-19-22(18)31-13-12-30-19/h2-9,14-15H,10-13H2,1H3/b9-8- | 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 | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016081
(CHEMBL3261179)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Cl)cc2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18ClN3O6/c23-16-7-4-15(5-8-16)6-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)17-2-1-3-18-21(17)31-13-12-30-18/h1-9,14H,10-13H2/b9-6- | 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 | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056749
(CHEMBL3331003)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(c2)[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17N5O6/c28-22(18-13-23-19-7-2-1-6-17(18)19)33-11-10-25-20(24-14-21(25)27(31)32)9-8-15-4-3-5-16(12-15)26(29)30/h1-9,12-14,23H,10-11H2/b9-8- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016097
(CHEMBL3261194)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H19N3O6/c26-22(17-7-4-8-18-21(17)30-14-13-29-18)31-12-11-24-19(23-15-20(24)25(27)28)10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2/b10-9- | 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 | 2.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056754
(CHEMBL3331008)Show SMILES COc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O5/c1-31-20-9-5-2-6-16(20)10-11-21-25-15-22(27(29)30)26(21)12-13-32-23(28)18-14-24-19-8-4-3-7-17(18)19/h2-11,14-15,24H,12-13H2,1H3/b11-10- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016089
(CHEMBL3261186)Show SMILES Cc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1cccc2OCCOc12)[N+]([O-])=O Show InChI InChI=1S/C23H21N3O6/c1-16-5-2-3-6-17(16)9-10-20-24-15-21(26(28)29)25(20)11-12-32-23(27)18-7-4-8-19-22(18)31-14-13-30-19/h2-10,15H,11-14H2,1H3/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016093
(CHEMBL3261190)Show SMILES COc1cccc(\C=C/c2ncc(n2CCOC(=O)c2cccc3OCCOc23)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H21N3O7/c1-30-17-5-2-4-16(14-17)8-9-20-24-15-21(26(28)29)25(20)10-11-33-23(27)18-6-3-7-19-22(18)32-13-12-31-19/h2-9,14-15H,10-13H2,1H3/b9-8- | 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 | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016091
(CHEMBL3261188)Show SMILES Cc1ccc(\C=C/c2ncc(n2CCOC(=O)c2cccc3OCCOc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H21N3O6/c1-16-5-7-17(8-6-16)9-10-20-24-15-21(26(28)29)25(20)11-12-32-23(27)18-3-2-4-19-22(18)31-14-13-30-19/h2-10,15H,11-14H2,1H3/b10-9- | 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 | 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016094
(CHEMBL3261191)Show SMILES COc1ccc(\C=C/c2ncc(n2CCOC(=O)c2cccc3OCCOc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H21N3O7/c1-30-17-8-5-16(6-9-17)7-10-20-24-15-21(26(28)29)25(20)11-12-33-23(27)18-3-2-4-19-22(18)32-14-13-31-19/h2-10,15H,11-14H2,1H3/b10-7- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016092
(CHEMBL3261189)Show SMILES COc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1cccc2OCCOc12)[N+]([O-])=O Show InChI InChI=1S/C23H21N3O7/c1-30-18-7-3-2-5-16(18)9-10-20-24-15-21(26(28)29)25(20)11-12-33-23(27)17-6-4-8-19-22(17)32-14-13-31-19/h2-10,15H,11-14H2,1H3/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056753
(CHEMBL3331007)Show SMILES Cc1ccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H20N4O4/c1-16-6-8-17(9-7-16)10-11-21-25-15-22(27(29)30)26(21)12-13-31-23(28)19-14-24-20-5-3-2-4-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-10- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056756
(CHEMBL3331010)Show SMILES COc1ccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H20N4O5/c1-31-17-9-6-16(7-10-17)8-11-21-25-15-22(27(29)30)26(21)12-13-32-23(28)19-14-24-20-5-3-2-4-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-8- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056751
(CHEMBL3331005)Show SMILES Cc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O4/c1-16-6-2-3-7-17(16)10-11-21-25-15-22(27(29)30)26(21)12-13-31-23(28)19-14-24-20-9-5-4-8-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-10- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056755
(CHEMBL3331009)Show SMILES COc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H20N4O5/c1-31-17-6-4-5-16(13-17)9-10-21-25-15-22(27(29)30)26(21)11-12-32-23(28)19-14-24-20-8-3-2-7-18(19)20/h2-10,13-15,24H,11-12H2,1H3/b10-9- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056742
(CHEMBL3330997)Show SMILES [O-][N+](=O)c1cnc(\C=C\c2ccccc2Cl)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN4O4/c23-18-7-3-1-5-15(18)9-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)17-13-24-19-8-4-2-6-16(17)19/h1-10,13-14,24H,11-12H2/b10-9+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056752
(CHEMBL3331006)Show SMILES Cc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H20N4O4/c1-16-5-4-6-17(13-16)9-10-21-25-15-22(27(29)30)26(21)11-12-31-23(28)19-14-24-20-8-3-2-7-18(19)20/h2-10,13-15,24H,11-12H2,1H3/b10-9- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056744
(CHEMBL3329220)Show SMILES [O-][N+](=O)c1cnc(\C=C\c2ccc(Cl)cc2)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN4O4/c23-16-8-5-15(6-9-16)7-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)18-13-24-19-4-2-1-3-17(18)19/h1-10,13-14,24H,11-12H2/b10-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056743
(CHEMBL3330998)Show SMILES [O-][N+](=O)c1cnc(\C=C\c2cccc(Cl)c2)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN4O4/c23-16-5-3-4-15(12-16)8-9-20-25-14-21(27(29)30)26(20)10-11-31-22(28)18-13-24-19-7-2-1-6-17(18)19/h1-9,12-14,24H,10-11H2/b9-8+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056745
(CHEMBL3330999)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2Br)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17BrN4O4/c23-18-7-3-1-5-15(18)9-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)17-13-24-19-8-4-2-6-16(17)19/h1-10,13-14,24H,11-12H2/b10-9- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056747
(CHEMBL3331001)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Br)cc2)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17BrN4O4/c23-16-8-5-15(6-9-16)7-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)18-13-24-19-4-2-1-3-17(18)19/h1-10,13-14,24H,11-12H2/b10-7- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056746
(CHEMBL3331000)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(Br)c2)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17BrN4O4/c23-16-5-3-4-15(12-16)8-9-20-25-14-21(27(29)30)26(20)10-11-31-22(28)18-13-24-19-7-2-1-6-17(18)19/h1-9,12-14,24H,10-11H2/b9-8- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056758
(CHEMBL3331344)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc3ccccc23)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C26H20N4O4/c31-26(22-16-27-23-11-4-3-10-21(22)23)34-15-14-29-24(28-17-25(29)30(32)33)13-12-19-8-5-7-18-6-1-2-9-20(18)19/h1-13,16-17,27H,14-15H2/b13-12- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.87E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056759
(CHEMBL3331345)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H18N4O4/c27-22(18-14-23-19-9-5-4-8-17(18)19)30-13-12-25-20(24-15-21(25)26(28)29)11-10-16-6-2-1-3-7-16/h1-11,14-15,23H,12-13H2/b11-10- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
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