BDBM50510191 CHEMBL4455041

SMILES: CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1

InChI Key: InChIKey=LURWYEWOUAIFNC-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50510191   

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))	BDBM50510191 (CHEMBL4455041) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3	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	5.96E+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-1 (Homo sapiens (Human))	BDBM50510191 (CHEMBL4455041) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	236	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))	BDBM50510191 (CHEMBL4455041) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3	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