Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.5 BDBM50520846

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
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of [gamma-33P]-ATP by filtration method				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	581	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins [gamma-33P]-ATP by filtration method				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 1 uM [gamma-33P]-ATP by filtration method				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration method				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 100 uM [gamma-33P]-ATP by filtration method				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 100 uM [gamma-33P]-ATP by filtration met...				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration meth...				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 1 uM [gamma-33P]-ATP by filtration metho...				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of DAPK1 in HEK293 tau-BiFC cells assessed as reduction in forskolin-induced tau aggregation after 48 hrs by Hoechst staining based HCS an...				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50520846 (CHEMBL4461911) Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of red tracer binding to human ERG expressed in membranes preincubated for 10 to 15 mins followed by tracer addition measured after 3 hrs ...				Eur J Med Chem 162: 161-175 (2019) Article DOI: 10.1016/j.ejmech.2018.10.057 BindingDB Entry DOI: 10.7270/Q29K4FM7
					More data for this Ligand-Target Pair