BDBM50391944 CHEMBL2147769

SMILES: COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12

InChI Key: InChIKey=LBKHGMSDKVXRDB-UHFFFAOYSA-N

Data: 3 IC50

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 = 50391944   

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))	BDBM50391944 (CHEMBL2147769) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-15-21(27)20(10-14-11-25-18-4-5-24-12-16(14)18)29-22(15)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391944 (CHEMBL2147769) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-15-21(27)20(10-14-11-25-18-4-5-24-12-16(14)18)29-22(15)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50391944 (CHEMBL2147769) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-15-21(27)20(10-14-11-25-18-4-5-24-12-16(14)18)29-22(15)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair