Found 15 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289961
(CHEMBL65376 | Pentanedioic acid furan-2-ylmethyl e...)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccco2)cc1 Show InChI InChI=1S/C18H17NO7/c20-17(25-13-16-3-2-12-24-16)4-1-5-18(21)26-15-8-6-14(7-9-15)10-11-19(22)23/h2-3,6-12H,1,4-5,13H2/b11-10+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289957
(CHEMBL304442 | Pentanedioic acid 4-((E)-2-nitro-vi...)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C19H17NO6/c21-18(25-16-5-2-1-3-6-16)7-4-8-19(22)26-17-11-9-15(10-12-17)13-14-20(23)24/h1-3,5-6,9-14H,4,7-8H2/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289964
(CHEMBL63559 | Pentanedioic acid 4-methoxy-phenyl e...)Show SMILES COc1ccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C20H19NO7/c1-26-16-9-11-18(12-10-16)28-20(23)4-2-3-19(22)27-17-7-5-15(6-8-17)13-14-21(24)25/h5-14H,2-4H2,1H3/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289963
(CHEMBL3142195 | CHEMBL92506 | Pentanedioic acid (2...)Show SMILES CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H36N6O9/c1-17(2)41-25-21(44-29(26(25)42-18(3)4)34-16-33-24-27(30)31-15-32-28(24)34)14-40-22(36)6-5-7-23(37)43-20-10-8-19(9-11-20)12-13-35(38)39/h8-13,15-18,21,25-26,29H,5-7,14H2,1-4H3,(H2,30,31,32)/b13-12+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289961
(CHEMBL65376 | Pentanedioic acid furan-2-ylmethyl e...)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccco2)cc1 Show InChI InChI=1S/C18H17NO7/c20-17(25-13-16-3-2-12-24-16)4-1-5-18(21)26-15-8-6-14(7-9-15)10-11-19(22)23/h2-3,6-12H,1,4-5,13H2/b11-10+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289957
(CHEMBL304442 | Pentanedioic acid 4-((E)-2-nitro-vi...)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C19H17NO6/c21-18(25-16-5-2-1-3-6-16)7-4-8-19(22)26-17-11-9-15(10-12-17)13-14-20(23)24/h1-3,5-6,9-14H,4,7-8H2/b14-13+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289963
(CHEMBL3142195 | CHEMBL92506 | Pentanedioic acid (2...)Show SMILES CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H36N6O9/c1-17(2)41-25-21(44-29(26(25)42-18(3)4)34-16-33-24-27(30)31-15-32-28(24)34)14-40-22(36)6-5-7-23(37)43-20-10-8-19(9-11-20)12-13-35(38)39/h8-13,15-18,21,25-26,29H,5-7,14H2,1-4H3,(H2,30,31,32)/b13-12+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214741
(CHEMBL65096)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C20H20N2O5/c23-19(21-15-17-5-2-1-3-6-17)7-4-8-20(24)27-18-11-9-16(10-12-18)13-14-22(25)26/h1-3,5-6,9-14H,4,7-8,15H2,(H,21,23)/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50289964
(CHEMBL63559 | Pentanedioic acid 4-methoxy-phenyl e...)Show SMILES COc1ccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C20H19NO7/c1-26-16-9-11-18(12-10-16)28-20(23)4-2-3-19(22)27-17-7-5-15(6-8-17)13-14-21(24)25/h5-14H,2-4H2,1H3/b14-13+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214742
(CHEMBL302905)Show SMILES COc1cccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)c1 Show InChI InChI=1S/C20H19NO7/c1-26-17-4-2-5-18(14-17)28-20(23)7-3-6-19(22)27-16-10-8-15(9-11-16)12-13-21(24)25/h2,4-5,8-14H,3,6-7H2,1H3/b13-12+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214743
(CHEMBL63650)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H16FNO6/c20-15-6-10-17(11-7-15)27-19(23)3-1-2-18(22)26-16-8-4-14(5-9-16)12-13-21(24)25/h4-13H,1-3H2/b13-12+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214740
(CHEMBL67009)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C20H19NO6/c22-19(26-15-17-5-2-1-3-6-17)7-4-8-20(23)27-18-11-9-16(10-12-18)13-14-21(24)25/h1-3,5-6,9-14H,4,7-8,15H2/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214738
(CHEMBL65594)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C19H18N2O5/c22-18(20-16-5-2-1-3-6-16)7-4-8-19(23)26-17-11-9-15(10-12-17)13-14-21(24)25/h1-3,5-6,9-14H,4,7-8H2,(H,20,22)/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214739
(CHEMBL68413)Show SMILES COc1ccccc1OC(=O)CCCC(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1 Show InChI InChI=1S/C20H19NO7/c1-26-17-5-2-3-6-18(17)28-20(23)8-4-7-19(22)27-16-11-9-15(10-12-16)13-14-21(24)25/h2-3,5-6,9-14H,4,7-8H2,1H3/b14-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214737
(CHEMBL63772)Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO6/c23-20(27-16-14-17-5-2-1-3-6-17)7-4-8-21(24)28-19-11-9-18(10-12-19)13-15-22(25)26/h1-3,5-6,9-13,15H,4,7-8,14,16H2/b15-13+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells |
Bioorg Med Chem Lett 7: 2109-2114 (1997)
Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3 |
More data for this
Ligand-Target Pair | |
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