BDBM50335426 2-(6-morpholino-2-(pentylamino)-9H-purin-9-yl)acetic acid::CHEMBL1651666

SMILES: CCCCCNc1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1

InChI Key: InChIKey=QUJSGIKJRRYNMO-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50335426   

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
Transcription Factor STAT3 (Mus musculus (mouse))	BDBM50335426 (2-(6-morpholino-2-(pentylamino)-9H-purin-9-yl)acet...) Show SMILES CCCCCNc1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C16H24N6O3/c1-2-3-4-5-17-16-19-14(21-6-8-25-9-7-21)13-15(20-16)22(11-18-13)10-12(23)24/h11H,2-10H2,1H3,(H,23,24)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to mouse Stat3 by surface plasmon resonance assay				ACS Med Chem Lett 2: 79-84 (2011) Article DOI: 10.1021/ml100224d BindingDB Entry DOI: 10.7270/Q2251K45
					More data for this Ligand-Target Pair
Transcription Factor STAT3 (Mus musculus (mouse))	BDBM50335426 (2-(6-morpholino-2-(pentylamino)-9H-purin-9-yl)acet...) Show SMILES CCCCCNc1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C16H24N6O3/c1-2-3-4-5-17-16-19-14(21-6-8-25-9-7-21)13-15(20-16)22(11-18-13)10-12(23)24/h11H,2-10H2,1H3,(H,23,24)(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse Stat3 DNA binding activity by EMSA				ACS Med Chem Lett 2: 79-84 (2011) Article DOI: 10.1021/ml100224d BindingDB Entry DOI: 10.7270/Q2251K45
					More data for this Ligand-Target Pair