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SMILES: Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1

InChI Key: InChIKey=PNAYFCPGKVJMMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50061612   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.58	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...				US Patent US9321756 (2016) BindingDB Entry DOI: 10.7270/Q2W094S2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...				US Patent US9321756 (2016) BindingDB Entry DOI: 10.7270/Q2W094S2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40.8	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...				US Patent US9321756 (2016) BindingDB Entry DOI: 10.7270/Q2W094S2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PIM2 in human U2OS cells assessed as phosphorylation of BAD				Bioorg Med Chem Lett 25: 775-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.091 BindingDB Entry DOI: 10.7270/Q2WQ05G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant PIM1 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...				Bioorg Med Chem Lett 25: 775-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.091 BindingDB Entry DOI: 10.7270/Q2WQ05G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant PIM2 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...				Bioorg Med Chem Lett 25: 775-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.091 BindingDB Entry DOI: 10.7270/Q2WQ05G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant PIM3 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...				Bioorg Med Chem Lett 25: 775-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.091 BindingDB Entry DOI: 10.7270/Q2WQ05G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50061612 (CHEMBL3394168 | US9321756, 163) Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1 Show InChI InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 in human U2OS cells assessed as phosphorylation of BAD				Bioorg Med Chem Lett 25: 775-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.091 BindingDB Entry DOI: 10.7270/Q2WQ05G8
					More data for this Ligand-Target Pair