Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 3' and Ligand = 'BDBM120095'   

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
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM120095 (US10525036, Example GDC-0994 | US10934304, Example...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of ERK1 (unknown origin)				Bioorg Med Chem Lett 25: 4047-56 (2015) Article DOI: 10.1016/j.bmcl.2015.07.093 BindingDB Entry DOI: 10.7270/Q2VX0JBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM120095 (US10525036, Example GDC-0994 | US10934304, Example...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK1 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389 BindingDB Entry DOI: 10.7270/Q2M90D42
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM120095 (US10525036, Example GDC-0994 | US10934304, Example...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK1 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389 BindingDB Entry DOI: 10.7270/Q2M90D42
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM120095 (US10525036, Example GDC-0994 | US10934304, Example...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Recurium IP Holdings, LLC US Patent					Assay Description Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with as...				US Patent US10525036 (2020) BindingDB Entry DOI: 10.7270/Q26Q20N0
					More data for this Ligand-Target Pair				3D Structure (crystal)