Found 111 hits with Last Name = 'jiang' and Initial = 'aq' 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)) | BDBM50435848
(CHEMBL2393378)Show InChI InChI=1S/C16H12FN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Tubulin beta chain
(Sus scrofa) | BDBM50529853
(CHEMBL4473070)Show SMILES COC(=O)N1N=C(CC1c1cc(OC)c(OC)c(OC)c1)c1cccc(C)c1 |c:5| Show InChI InChI=1S/C21H24N2O5/c1-13-7-6-8-14(9-13)16-12-17(23(22-16)21(24)28-5)15-10-18(25-2)20(27-4)19(11-15)26-3/h6-11,17H,12H2,1-5H3 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of porcine brain tubulin polymerization |
Eur J Med Chem 163: 896-910 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4 |
More data for this
Ligand-Target Pair | |
Tubulin beta chain
(Sus scrofa) | BDBM50529853
(CHEMBL4473070)Show SMILES COC(=O)N1N=C(CC1c1cc(OC)c(OC)c(OC)c1)c1cccc(C)c1 |c:5| Show InChI InChI=1S/C21H24N2O5/c1-13-7-6-8-14(9-13)16-12-17(23(22-16)21(24)28-5)15-10-18(25-2)20(27-4)19(11-15)26-3/h6-11,17H,12H2,1-5H3 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of porcine brain tubulin polymerization |
Eur J Med Chem 163: 896-910 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045307
(CHEMBL3311089)Show SMILES COc1ccc(cc1OC)C(=O)Nc1nnc(\C=C\c2cc(OC)c(OC)c(OC)c2Br)s1 Show InChI InChI=1S/C22H22BrN3O6S/c1-28-14-8-6-13(11-15(14)29-2)21(27)24-22-26-25-17(33-22)9-7-12-10-16(30-3)19(31-4)20(32-5)18(12)23/h6-11H,1-5H3,(H,24,26,27)/b9-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.73E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
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) | BDBM50086304
(CHEMBL3425998)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |t:9| Show InChI InChI=1S/C27H26N2O7/c1-31-19-8-5-16(6-9-19)20-14-21(17-7-10-22-23(11-17)36-15-35-22)29(28-20)27(30)18-12-24(32-2)26(34-4)25(13-18)33-3/h5-13,21H,14-15H2,1-4H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.88E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086303
(CHEMBL3425997)Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |t:9| Show InChI InChI=1S/C27H26N2O7/c1-31-19-7-5-6-16(10-19)20-14-21(17-8-9-22-23(11-17)36-15-35-22)29(28-20)27(30)18-12-24(32-2)26(34-4)25(13-18)33-3/h5-13,21H,14-15H2,1-4H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.91E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086299
(CHEMBL3426025)Show SMILES COc1cc(cc(OC)c1OC)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1ccc(F)cc1 |t:13| Show InChI InChI=1S/C26H23FN2O6/c1-31-23-11-17(12-24(32-2)25(23)33-3)19-13-20(16-6-9-21-22(10-16)35-14-34-21)29(28-19)26(30)15-4-7-18(27)8-5-15/h4-12,20H,13-14H2,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.09E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
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 | 2.10E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
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 | 2.10E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086305
(CHEMBL3425999)Show SMILES COc1ccc(cc1OC)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |t:11| Show InChI InChI=1S/C28H28N2O8/c1-32-21-8-6-16(10-23(21)33-2)19-14-20(17-7-9-22-24(11-17)38-15-37-22)30(29-19)28(31)18-12-25(34-3)27(36-5)26(13-18)35-4/h6-13,20H,14-15H2,1-5H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.13E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Tubulin beta chain
(Sus scrofa) | 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/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of porcine brain tubulin polymerization |
Eur J Med Chem 163: 896-910 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tubulin beta chain
(Sus scrofa) | 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/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of porcine brain tubulin polymerization |
Eur J Med Chem 163: 896-910 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086301
(CHEMBL3425515)Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |t:10| Show InChI InChI=1S/C28H28N2O7/c1-5-35-20-9-6-17(7-10-20)21-15-22(18-8-11-23-24(12-18)37-16-36-23)30(29-21)28(31)19-13-25(32-2)27(34-4)26(14-19)33-3/h6-14,22H,5,15-16H2,1-4H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.19E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086302
(CHEMBL3425923)Show SMILES COc1ccccc1C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1 |t:9| Show InChI InChI=1S/C27H26N2O7/c1-31-21-8-6-5-7-18(21)19-14-20(16-9-10-22-23(11-16)36-15-35-22)29(28-19)27(30)17-12-24(32-2)26(34-4)25(13-17)33-3/h5-13,20H,14-15H2,1-4H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.35E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045305
(CHEMBL3311087)Show SMILES COc1cccc(c1)C(=O)Nc1nnc(\C=C\c2cc(OC)c(OC)c(OC)c2Br)s1 Show InChI InChI=1S/C21H20BrN3O5S/c1-27-14-7-5-6-13(10-14)20(26)23-21-25-24-16(31-21)9-8-12-11-15(28-2)18(29-3)19(30-4)17(12)22/h5-11H,1-4H3,(H,23,25,26)/b9-8+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.08E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
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 | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031298
(CHEMBL3352863)Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2Br)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H19BrN6O3S/c1-15-24-13-21(29(30)31)28(15)10-11-32-17-8-6-16(7-9-17)12-25-27-22-26-20(14-33-22)18-4-2-3-5-19(18)23/h2-9,12-14H,10-11H2,1H3,(H,26,27)/b25-12+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031300
(CHEMBL3357052)Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H20N6O3S/c1-16-23-14-21(28(29)30)27(16)11-12-31-19-9-7-17(8-10-19)13-24-26-22-25-20(15-32-22)18-5-3-2-4-6-18/h2-10,13-15H,11-12H2,1H3,(H,25,26)/b24-13+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
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) | BDBM50045311
(CHEMBL3311093)Show SMILES COc1cc(\C=C\c2nnc(NC(=O)c3cccc(Cl)c3)s2)c(Br)c(OC)c1OC Show InChI InChI=1S/C20H17BrClN3O4S/c1-27-14-10-11(16(21)18(29-3)17(14)28-2)7-8-15-24-25-20(30-15)23-19(26)12-5-4-6-13(22)9-12/h4-10H,1-3H3,(H,23,25,26)/b8-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.68E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045309
(CHEMBL3311091)Show SMILES COc1cc(\C=C\c2nnc(NC(=O)c3cccc(Br)c3)s2)c(Br)c(OC)c1OC Show InChI InChI=1S/C20H17Br2N3O4S/c1-27-14-10-11(16(22)18(29-3)17(14)28-2)7-8-15-24-25-20(30-15)23-19(26)12-5-4-6-13(21)9-12/h4-10H,1-3H3,(H,23,25,26)/b8-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.02E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031305
(CHEMBL3357053)Show SMILES COc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCCn3c(C)ncc3[N+]([O-])=O)cc2)n1 Show InChI InChI=1S/C23H22N6O4S/c1-16-24-14-22(29(30)31)28(16)11-12-33-20-7-3-17(4-8-20)13-25-27-23-26-21(15-34-23)18-5-9-19(32-2)10-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,27)/b25-13+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031288
(CHEMBL3357054)Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(Br)cc2)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H19BrN6O3S/c1-15-24-13-21(29(30)31)28(15)10-11-32-19-8-2-16(3-9-19)12-25-27-22-26-20(14-33-22)17-4-6-18(23)7-5-17/h2-9,12-14H,10-11H2,1H3,(H,26,27)/b25-12+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
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 | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031282
(CHEBI:17630 | Kanamycin)Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435837
(CHEMBL2393370)Show SMILES [O-][N+](=O)c1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1 Show InChI InChI=1S/C16H12N6O3S/c23-22(24)12-5-3-4-11(8-12)10-26-16-19-18-15(25-16)9-21-14-7-2-1-6-13(14)17-20-21/h1-8H,9-10H2 | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045313
(CHEMBL3311094)Show SMILES COc1cc(\C=C\c2nnc(NC(=O)c3cccc(F)c3)s2)c(Br)c(OC)c1OC Show InChI InChI=1S/C20H17BrFN3O4S/c1-27-14-10-11(16(21)18(29-3)17(14)28-2)7-8-15-24-25-20(30-15)23-19(26)12-5-4-6-13(22)9-12/h4-10H,1-3H3,(H,23,25,26)/b8-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.08E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086312
(CHEMBL3426006)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1N=C(CC1c1ccc2OCOc2c1)c1cccc(C)c1 |c:16| Show InChI InChI=1S/C27H26N2O6/c1-16-6-5-7-17(10-16)20-14-21(18-8-9-22-23(11-18)35-15-34-22)29(28-20)27(30)19-12-24(31-2)26(33-4)25(13-19)32-3/h5-13,21H,14-15H2,1-4H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.08E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435844
(CHEMBL2393382)Show InChI InChI=1S/C17H15N5O2S/c1-23-15-9-5-2-6-12(15)11-25-17-20-19-16(24-17)10-22-14-8-4-3-7-13(14)18-21-22/h2-9H,10-11H2,1H3 | 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 | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435842
(CHEMBL2393384)Show InChI InChI=1S/C16H12FN5OS/c17-12-5-3-4-11(8-12)10-24-16-20-19-15(23-16)9-22-14-7-2-1-6-13(14)18-21-22/h1-8H,9-10H2 | 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 | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031287
(CHEMBL3357055)Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H19F3N6O3S/c1-15-27-13-21(32(33)34)31(15)10-11-35-19-8-2-16(3-9-19)12-28-30-22-29-20(14-36-22)17-4-6-18(7-5-17)23(24,25)26/h2-9,12-14H,10-11H2,1H3,(H,29,30)/b28-12+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435838
(CHEMBL2393388)Show InChI InChI=1S/C17H15N5O2S/c1-23-13-6-4-5-12(9-13)11-25-17-20-19-16(24-17)10-22-15-8-3-2-7-14(15)18-21-22/h2-9H,10-11H2,1H3 | 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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435843
(CHEMBL2393383)Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1 Show InChI InChI=1S/C16H12N6O3S/c23-22(24)13-7-3-1-5-11(13)10-26-16-19-18-15(25-16)9-21-14-8-4-2-6-12(14)17-20-21/h1-8H,9-10H2 | 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 | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086293
(CHEMBL3426020)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)C(=O)c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C24H19FN2O4/c1-29-19-9-4-15(5-10-19)20-13-21(17-6-11-22-23(12-17)31-14-30-22)27(26-20)24(28)16-2-7-18(25)8-3-16/h2-12,21H,13-14H2,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.69E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50086309
(CHEMBL3426003)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(F)cc1 |c:16| Show InChI InChI=1S/C26H23FN2O6/c1-31-23-11-17(12-24(32-2)25(23)33-3)26(30)29-20(16-6-9-21-22(10-16)35-14-34-21)13-19(28-29)15-4-7-18(27)8-5-15/h4-12,20H,13-14H2,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.89E+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 polymerization after 20 mins by turbidimetric analysis |
Eur J Med Chem 94: 447-57 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.058
BindingDB Entry DOI: 10.7270/Q2SN0BQV |
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)) | BDBM50435841
(CHEMBL2393385)Show InChI InChI=1S/C16H12ClN5OS/c17-12-5-3-4-11(8-12)10-24-16-20-19-15(23-16)9-22-14-7-2-1-6-13(14)18-21-22/h1-8H,9-10H2 | 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 | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435833
(CHEMBL2393374)Show InChI InChI=1S/C17H15N5O2S/c1-23-13-8-6-12(7-9-13)11-25-17-20-19-16(24-17)10-22-15-5-3-2-4-14(15)18-21-22/h2-9H,10-11H2,1H3 | 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 | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031304
(CHEMBL3357056)Show SMILES Cc1ncc(n1CCOc1cccc(\C=N\Nc2nc(cs2)-c2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C22H20N6O3S/c1-16-23-14-21(28(29)30)27(16)10-11-31-19-9-5-6-17(12-19)13-24-26-22-25-20(15-32-22)18-7-3-2-4-8-18/h2-9,12-15H,10-11H2,1H3,(H,25,26)/b24-13+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435836
(CHEMBL2393371)Show InChI InChI=1S/C16H12FN5OS/c17-12-7-5-11(6-8-12)10-24-16-20-19-15(23-16)9-22-14-4-2-1-3-13(14)18-21-22/h1-8H,9-10H2 | 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 | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435832
(CHEMBL2393375)Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1 Show InChI InChI=1S/C16H12N6O3S/c23-22(24)12-7-5-11(6-8-12)10-26-16-19-18-15(25-16)9-21-14-4-2-1-3-13(14)17-20-21/h1-8H,9-10H2 | 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 | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031302
(CHEMBL3357057)Show SMILES COc1ccc(cc1)-c1csc(N\N=C\c2cccc(OCCn3c(C)ncc3[N+]([O-])=O)c2)n1 Show InChI InChI=1S/C23H22N6O4S/c1-16-24-14-22(29(30)31)28(16)10-11-33-20-5-3-4-17(12-20)13-25-27-23-26-21(15-34-23)18-6-8-19(32-2)9-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,26,27)/b25-13+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435847
(CHEMBL2393379)Show InChI InChI=1S/C16H12ClN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2 | 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 | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50435846
(CHEMBL2393380)Show InChI InChI=1S/C16H12BrN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2 | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA |
Bioorg Med Chem 21: 3723-9 (2013)
Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4 |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045324
(CHEMBL3311105)Show SMILES COc1cc(\C=C\c2nnc(NC(=O)c3ccccc3)s2)c(Br)c(OC)c1OC Show InChI InChI=1S/C20H18BrN3O4S/c1-26-14-11-13(16(21)18(28-3)17(14)27-2)9-10-15-23-24-20(29-15)22-19(25)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,24,25)/b10-9+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.83E+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 polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
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