Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase 3' and Ligand = 'BDBM50059345'   

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
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50059345 (CHEMBL3393355 | US9156845, 83) Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50059345 (CHEMBL3393355 | US9156845, 83) Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50059345 (CHEMBL3393355 | US9156845, 83) Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK3 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50059345 (CHEMBL3393355 | US9156845, 83) Show SMILES Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as dissociation constan...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8
					More data for this Ligand-Target Pair				3D Structure (crystal)