Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.8 BDBM351503

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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))	BDBM351503 (7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}o...) Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYMPHONY EVOLUTION, INC. US Patent					Assay Description In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...				US Patent US9796704 (2017) BindingDB Entry DOI: 10.7270/Q28K7C6V
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM351503 (7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}o...) Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
SYMPHONY EVOLUTION, INC. US Patent					Assay Description In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...				US Patent US9796704 (2017) BindingDB Entry DOI: 10.7270/Q28K7C6V
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM351503 (7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}o...) Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
SYMPHONY EVOLUTION, INC. US Patent					Assay Description In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...				US Patent US9796704 (2017) BindingDB Entry DOI: 10.7270/Q28K7C6V
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM351503 (7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}o...) Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
SYMPHONY EVOLUTION, INC. US Patent					Assay Description In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...				US Patent US9796704 (2017) BindingDB Entry DOI: 10.7270/Q28K7C6V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM351503 (7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}o...) Show SMILES COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
SYMPHONY EVOLUTION, INC. US Patent					Assay Description In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upo...				US Patent US9796704 (2017) BindingDB Entry DOI: 10.7270/Q28K7C6V
					More data for this Ligand-Target Pair