BDBM50391936 CHEMBL2147758

SMILES: Oc1ccc2C(=O)\C(Oc2c1CN1CCCCCC1)=C\c1c[nH]c2ccccc12

InChI Key: InChIKey=IARYZBOIUVHJGF-XKZIYDEJSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50391936   

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))	BDBM50391936 (CHEMBL2147758) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCCCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C24H24N2O3/c27-21-10-9-18-23(28)22(13-16-14-25-20-8-4-3-7-17(16)20)29-24(18)19(21)15-26-11-5-1-2-6-12-26/h3-4,7-10,13-14,25,27H,1-2,5-6,11-12,15H2/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	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				3D Structure (crystal)