Found 77 hits with Last Name = 'teraiya' and Initial = 'sb' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103527
(CHEMBL3325477)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103527
(CHEMBL3325477)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102489
(CHEMBL3325479)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009023
(CHEMBL3237948)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C30H32ClN5O3/c1-6-39-29(38)26-25(23-18(3)34-36(27(23)31)19-11-9-17(2)10-12-19)24-21(14-30(4,5)15-22(24)37)35(28(26)32)20-8-7-13-33-16-20/h7-13,16,25H,6,14-15,32H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102489
(CHEMBL3325479)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009020
(CHEMBL3237945)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C28H28ClN5O3/c1-4-37-28(36)25-24(22-17(3)32-34(26(22)29)18-12-10-16(2)11-13-18)23-20(8-5-9-21(23)35)33(27(25)30)19-7-6-14-31-15-19/h6-7,10-15,24H,4-5,8-9,30H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009024
(CHEMBL3237949)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C29H29Cl2N5O3/c1-5-39-28(38)25-24(22-16(2)34-36(26(22)31)18-10-8-17(30)9-11-18)23-20(13-29(3,4)14-21(23)37)35(27(25)32)19-7-6-12-33-15-19/h6-12,15,24H,5,13-14,32H2,1-4H3 | PDB
MMDB
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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103531
(CHEMBL3325473)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103528
(CHEMBL3325475)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103531
(CHEMBL3325473)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009018
(CHEMBL3237944)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H26ClN5O3/c1-3-36-27(35)24-23(21-16(2)31-33(25(21)28)17-9-5-4-6-10-17)22-19(12-7-13-20(22)34)32(26(24)29)18-11-8-14-30-15-18/h4-6,8-11,14-15,23H,3,7,12-13,29H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103528
(CHEMBL3325475)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102490
(CHEMBL3325478)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O3/c1-3-37-27(36)24-22(18-13-16-12-15(2)9-10-19(16)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)17-6-5-11-29-14-17/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50008995
(CHEMBL3237940)Show SMILES Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccc(Cl)cc1 |c:15,t:11| Show InChI InChI=1S/C25H20Cl2N6O/c1-14-21(24(27)33(31-14)16-9-7-15(26)8-10-16)22-18(12-28)25(29)32(17-4-3-11-30-13-17)19-5-2-6-20(34)23(19)22/h3-4,7-11,13,22H,2,5-6,29H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103532
(CHEMBL3325474)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O3/c1-14-8-9-18-15(11-14)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(16-5-4-10-28-13-16)24(27)23(21)26(35)36-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102485
(CHEMBL3327179)Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2ccccc2n2nnnc12 |c:1,t:6| Show InChI InChI=1S/C24H18N8O/c25-12-17-21(16-11-14-5-1-2-7-18(14)32-24(16)28-29-30-32)22-19(8-3-9-20(22)33)31(23(17)26)15-6-4-10-27-13-15/h1-2,4-7,10-11,13,21H,3,8-9,26H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103532
(CHEMBL3325474)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O3/c1-14-8-9-18-15(11-14)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(16-5-4-10-28-13-16)24(27)23(21)26(35)36-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102485
(CHEMBL3327179)Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2ccccc2n2nnnc12 |c:1,t:6| Show InChI InChI=1S/C24H18N8O/c25-12-17-21(16-11-14-5-1-2-7-18(14)32-24(16)28-29-30-32)22-19(8-3-9-20(22)33)31(23(17)26)15-6-4-10-27-13-15/h1-2,4-7,10-11,13,21H,3,8-9,26H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103530
(CHEMBL3325471)Show SMILES COc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:18,t:14| Show InChI InChI=1S/C25H20N8O2/c1-35-16-7-8-19-14(10-16)11-17(25-29-30-31-33(19)25)22-18(12-26)24(27)32(15-4-3-9-28-13-15)20-5-2-6-21(34)23(20)22/h3-4,7-11,13,22H,2,5-6,27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009021
(CHEMBL3237946)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25Cl2N5O3/c1-3-37-27(36)24-23(21-15(2)32-34(25(21)29)17-11-9-16(28)10-12-17)22-19(7-4-8-20(22)35)33(26(24)30)18-6-5-13-31-14-18/h5-6,9-14,23H,3-4,7-8,30H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102490
(CHEMBL3325478)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O3/c1-3-37-27(36)24-22(18-13-16-12-15(2)9-10-19(16)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)17-6-5-11-29-14-17/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
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 histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103529
(CHEMBL3325476)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H20ClN7O3/c1-36-25(35)22-20(16-11-13-10-14(26)7-8-17(13)33-24(16)29-30-31-33)21-18(5-2-6-19(21)34)32(23(22)27)15-4-3-9-28-12-15/h3-4,7-12,20H,2,5-6,27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103530
(CHEMBL3325471)Show SMILES COc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:18,t:14| Show InChI InChI=1S/C25H20N8O2/c1-35-16-7-8-19-14(10-16)11-17(25-29-30-31-33(19)25)22-18(12-26)24(27)32(15-4-3-9-28-13-15)20-5-2-6-21(34)23(20)22/h3-4,7-11,13,22H,2,5-6,27H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103529
(CHEMBL3325476)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H20ClN7O3/c1-36-25(35)22-20(16-11-13-10-14(26)7-8-17(13)33-24(16)29-30-31-33)21-18(5-2-6-19(21)34)32(23(22)27)15-4-3-9-28-12-15/h3-4,7-12,20H,2,5-6,27H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50008991
(CHEMBL3237939)Show SMILES Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccc(C)cc1 |c:15,t:11| Show InChI InChI=1S/C26H23ClN6O/c1-15-8-10-17(11-9-15)33-25(27)22(16(2)31-33)23-19(13-28)26(29)32(18-5-4-12-30-14-18)20-6-3-7-21(34)24(20)23/h4-5,8-12,14,23H,3,6-7,29H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102463
(CHEMBL3325470)Show SMILES Cc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:17,t:13| Show InChI InChI=1S/C25H20N8O/c1-14-7-8-19-15(10-14)11-17(25-29-30-31-33(19)25)22-18(12-26)24(27)32(16-4-3-9-28-13-16)20-5-2-6-21(34)23(20)22/h3-4,7-11,13,22H,2,5-6,27H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009022
(CHEMBL3237947)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C29H30ClN5O3/c1-5-38-28(37)25-24(22-17(2)33-35(26(22)30)18-10-7-6-8-11-18)23-20(14-29(3,4)15-21(23)36)34(27(25)31)19-12-9-13-32-16-19/h6-13,16,24H,5,14-15,31H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009012
(CHEMBL3237942)Show SMILES Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CC(C)(C)C2)c1cccnc1)-c1ccc(C)cc1 |c:15,t:11| Show InChI InChI=1S/C28H27ClN6O/c1-16-7-9-18(10-8-16)35-26(29)23(17(2)33-35)24-20(14-30)27(31)34(19-6-5-11-32-15-19)21-12-28(3,4)13-22(36)25(21)24/h5-11,15,24H,12-13,31H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102463
(CHEMBL3325470)Show SMILES Cc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:17,t:13| Show InChI InChI=1S/C25H20N8O/c1-14-7-8-19-15(10-14)11-17(25-29-30-31-33(19)25)22-18(12-26)24(27)32(16-4-3-9-28-13-16)20-5-2-6-21(34)23(20)22/h3-4,7-11,13,22H,2,5-6,27H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102488
(CHEMBL3325480)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C26H22ClN7O3/c1-2-37-26(36)23-21(17-12-14-11-15(27)8-9-18(14)34-25(17)30-31-32-34)22-19(6-3-7-20(22)35)33(24(23)28)16-5-4-10-29-13-16/h4-5,8-13,21H,2-3,6-7,28H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50008938
(CHEMBL3237938)Show SMILES Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccccc1 |c:15,t:11| Show InChI InChI=1S/C25H21ClN6O/c1-15-21(24(26)32(30-15)16-7-3-2-4-8-16)22-18(13-27)25(28)31(17-9-6-12-29-14-17)19-10-5-11-20(33)23(19)22/h2-4,6-9,12,14,22H,5,10-11,28H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
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