BDBM50510172 CHEMBL4527736

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

InChI Key: InChIKey=HWMYTSVQLOTTGQ-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 = 50510172   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.97E+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
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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))	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	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	283	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))	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50510172 (CHEMBL4527736) Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1 Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3	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