Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6477
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OC)cc4cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4531
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK-1) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50109282
(7,8-Dimethoxy-4-(4-phenoxy-phenylamino)-benzo[g]qu...)Show SMILES COc1cc2cc3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3cc2cc1OC Show InChI InChI=1S/C28H21N3O3/c1-32-26-14-18-12-24-25(13-19(18)15-27(26)33-2)30-17-20(16-29)28(24)31-21-8-10-23(11-9-21)34-22-6-4-3-5-7-22/h3-15,17H,1-2H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK-1) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50109281
(4-(2,4-Dichloro-phenylamino)-7,8-dimethoxy-benzo[g...)Show SMILES COc1cc2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3cc2cc1OC Show InChI InChI=1S/C22H15Cl2N3O2/c1-28-20-7-12-5-16-19(6-13(12)8-21(20)29-2)26-11-14(10-25)22(16)27-18-4-3-15(23)9-17(18)24/h3-9,11H,1-2H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4492
(4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quin...)Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6477
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OC)cc4cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C24H20ClN3O3/c1-13-5-18(25)21(29-2)10-19(13)28-24-16(11-26)12-27-20-7-15-9-23(31-4)22(30-3)8-14(15)6-17(20)24/h5-10,12H,1-4H3,(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-transformed fibroblast cell proliferation |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50109280
(4-(3-Chloro-4-fluoro-phenylamino)-7,8-dimethoxy-be...)Show SMILES COc1cc2cc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3cc2cc1OC Show InChI InChI=1S/C22H15ClFN3O2/c1-28-20-7-12-5-16-19(6-13(12)8-21(20)29-2)26-11-14(10-25)22(16)27-15-3-4-18(24)17(23)9-15/h3-9,11H,1-2H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of epidermal growth factor receptor (EGFR) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50109280
(4-(3-Chloro-4-fluoro-phenylamino)-7,8-dimethoxy-be...)Show SMILES COc1cc2cc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3cc2cc1OC Show InChI InChI=1S/C22H15ClFN3O2/c1-28-20-7-12-5-16-19(6-13(12)8-21(20)29-2)26-11-14(10-25)22(16)27-15-3-4-18(24)17(23)9-15/h3-9,11H,1-2H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of EGFR overexpressing A431 cell proliferation |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4456
(4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquin...)Show InChI InChI=1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-11-3-4-14(20)13(19)5-11/h3-7,9H,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4531
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of EGFR overexpressing A431 cell proliferation |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4456
(4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquin...)Show InChI InChI=1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-11-3-4-14(20)13(19)5-11/h3-7,9H,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of epidermal growth factor receptor (EGFR) |
Bioorg Med Chem Lett 12: 423-5 (2002)
BindingDB Entry DOI: 10.7270/Q2WM1CQ7 |
More data for this
Ligand-Target Pair | |
Search and Browse
