BDBM50510182 CHEMBL4526558

SMILES: CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1

InChI Key: InChIKey=MSNPLCILYPRIGG-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50510182   

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))	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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-3 (Homo sapiens (Human))	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.59E+3	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.32E+3	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 human FLT3 using EAIYAAPFAKKK as substrate incubated for 60 mins 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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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 human ERG incubated for 1 hr by Fluorescence polarization binding 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))	BDBM50510182 (CHEMBL4526558) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	155	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