Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'aljammal' and Initial = 'r'   

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 pim-3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.121	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of human PIM3 using RSRHSSYPAGT as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
ERO1-like protein alpha (Mus musculus)	BDBM50265447 (CHEMBL4060344) Show SMILES OC(=O)c1cc(ccc1Cl)C1C=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| Show InChI InChI=1S/C24H14ClF3O4/c25-20-8-6-14(10-18(20)23(30)31)16-12-19(24(26,27)28)17(22(16)29)11-15-7-9-21(32-15)13-4-2-1-3-5-13/h1-12,16H,(H,30,31)/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of GST-SMT3-tagged mouse ERO1alpha (23 to 464 residues) expressed in Escherichia coli rosetta (DE3) using reduced thioredoxin as substrate...				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of human PIM3 using RSRHSSYPAGT as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Binding affinity to bovine serum albumin by tryptophan quenching based HTS assay				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Activation of human DAPK1 using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair