Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.9 BDBM351298

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

Found 10 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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	PDB MMDB Reactome pathway 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))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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	<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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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	<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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	PDB MMDB 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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+4	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))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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	1.05E+4	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))	BDBM351298 (N-(3-chloro-2,4-difluorophenyl)-7-{[(3S,9aS)- hexa...) Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r| Show InChI InChI=1S/C23H23ClF2N4O4/c1-31-19-6-15-18(27-12-28-23(15)29-17-3-2-16(25)21(24)22(17)26)7-20(19)34-11-14-8-30-4-5-32-9-13(30)10-33-14/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,27,28,29)/t13?,14-/m0/s1	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	1.05E+4	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