BDBM50510177 CHEMBL4561045

SMILES: CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1

InChI Key: InChIKey=QLBROIYTIICCKT-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50510177   

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-1 (Homo sapiens (Human))	BDBM50510177 (CHEMBL4561045) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1 Show InChI InChI=1S/C21H22N8O/c1-27-11-12-30-19-17(27)13-23-29-20(25-26-21(19)29)15-6-5-14-3-2-4-16(18(14)24-15)28-9-7-22-8-10-28/h2-6,13,22H,7-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of His tagged human recombinant PIM1 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay				Eur J Med Chem 168: 87-109 (2019) Article DOI: 10.1016/j.ejmech.2019.02.022
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50510177 (CHEMBL4561045) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1 Show InChI InChI=1S/C21H22N8O/c1-27-11-12-30-19-17(27)13-23-29-20(25-26-21(19)29)15-6-5-14-3-2-4-16(18(14)24-15)28-9-7-22-8-10-28/h2-6,13,22H,7-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of His tagged human recombinant PIM2 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay				Eur J Med Chem 168: 87-109 (2019) Article DOI: 10.1016/j.ejmech.2019.02.022
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50510177 (CHEMBL4561045) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1 Show InChI InChI=1S/C21H22N8O/c1-27-11-12-30-19-17(27)13-23-29-20(25-26-21(19)29)15-6-5-14-3-2-4-16(18(14)24-15)28-9-7-22-8-10-28/h2-6,13,22H,7-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.36E+3	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA				Eur J Med Chem 168: 87-109 (2019) Article DOI: 10.1016/j.ejmech.2019.02.022
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50510177 (CHEMBL4561045) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1 Show InChI InChI=1S/C21H22N8O/c1-27-11-12-30-19-17(27)13-23-29-20(25-26-21(19)29)15-6-5-14-3-2-4-16(18(14)24-15)28-9-7-22-8-10-28/h2-6,13,22H,7-12H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-His tagged human recombinant PIM3 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based as...				Eur J Med Chem 168: 87-109 (2019) Article DOI: 10.1016/j.ejmech.2019.02.022
					More data for this Ligand-Target Pair