Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50038805   

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-1 (Homo sapiens (Human))	BDBM50267023 (1-(2-(1H-indol-3-yl)ethyl)-4-acetyl-5-(4-ethylphen...) Show SMILES CCc1ccc(cc1)C1C(C(C)=O)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H24N2O3/c1-3-16-8-10-17(11-9-16)22-21(15(2)27)23(28)24(29)26(22)13-12-18-14-25-20-7-5-4-6-19(18)20/h4-11,14,21-22,25H,3,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267025 (1-(2-(1H-indol-3-yl)ethyl)-4-acetyl-3-hydroxy-5-(4...) Show SMILES CC(=O)C1C(N(CCc2c[nH]c3ccccc23)C(=O)C1=O)c1ccc(O)cc1 Show InChI InChI=1S/C22H20N2O4/c1-13(25)19-20(14-6-8-16(26)9-7-14)24(22(28)21(19)27)11-10-15-12-23-18-5-3-2-4-17(15)18/h2-9,12,19-20,23,26H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267024 (1-(2-(1H-indol-3-yl)ethyl)-4-acetyl-5-(4-ethoxyphe...) Show SMILES CCOc1ccc(cc1)C1C(C(C)=O)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H24N2O4/c1-3-30-18-10-8-16(9-11-18)22-21(15(2)27)23(28)24(29)26(22)13-12-17-14-25-20-7-5-4-6-19(17)20/h4-11,14,21-22,25H,3,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267053 (1-(2-(1H-indol-3-yl)ethyl)-4-acetyl-3-hydroxy-5-(4...) Show SMILES COc1cc(ccc1O)C1C(C(C)=O)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H22N2O5/c1-13(26)20-21(14-7-8-18(27)19(11-14)30-2)25(23(29)22(20)28)10-9-15-12-24-17-6-4-3-5-16(15)17/h3-8,11-12,20-21,24,27H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM2681 (3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...) Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267091 (BAS-1059623 | CHEMBL476454 | N-(2-(1H-indol-3-yl)e...) Show SMILES CN1C2CCC1C=C(CC2)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 |c:7,THB:0:1:7.6.8.9:4.3| Show InChI InChI=1S/C26H28ClN3O/c1-29-21-10-12-22(29)16-23(13-11-21)30(26(31)18-6-8-20(27)9-7-18)15-14-19-17-28-25-5-3-2-4-24(19)25/h2-9,16-17,21-22,28H,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267089 (2-morpholino-8-phenylchroman-4-one | CHEMBL476452 ...) Show SMILES O=C1CC(Oc2c1cccc2-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H19NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,18H,9-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50267090 (2-(3-(9H-carbazol-9-yl)-2-hydroxypropoxy)benzaldeh...) Show SMILES OC(COc1ccccc1CN=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C22H20N2O3/c25-17(15-27-22-12-6-1-7-16(22)13-23-26)14-24-20-10-4-2-8-18(20)19-9-3-5-11-21(19)24/h1-12,17,25H,13-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1 expressed in insect cells by HTRF				Bioorg Med Chem Lett 19: 1512-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.005 BindingDB Entry DOI: 10.7270/Q2RF5VX8
					More data for this Ligand-Target Pair