BDBM50335425 2-(6-(isopentylamino)-2-(pentylamino)-9H-purin-9-yl)acetic acid::CHEMBL1651665

SMILES: CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(O)=O)c2n1

InChI Key: InChIKey=QEMSVPJFSMMHSS-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 = 50335425   

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))	BDBM50335425 (2-(6-(isopentylamino)-2-(pentylamino)-9H-purin-9-y...) Show SMILES CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C18H30N6O2/c1-5-6-7-9-19-18-21-16(23(4)10-8-13(2)3)15-17(22-18)24(12-20-15)11-14(25)26/h12-13H,5-11H2,1-4H3,(H,25,26)(H,19,21,22)	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	>5.00E+4	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))	BDBM50335425 (2-(6-(isopentylamino)-2-(pentylamino)-9H-purin-9-y...) Show SMILES CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C18H30N6O2/c1-5-6-7-9-19-18-21-16(23(4)10-8-13(2)3)15-17(22-18)24(12-20-15)11-14(25)26/h12-13H,5-11H2,1-4H3,(H,25,26)(H,19,21,22)	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