BDBM50335419 2-(6-(cyclohexylamino)-2-(pentylamino)-9H-purin-9-yl)acetic acid::CHEMBL1651659

SMILES: CCCCCNc1nc(NC2CCCCC2)c2ncn(CC(O)=O)c2n1

InChI Key: InChIKey=XNVAKTRDLDBLKW-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 = 50335419   

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))	BDBM50335419 (2-(6-(cyclohexylamino)-2-(pentylamino)-9H-purin-9-...) Show SMILES CCCCCNc1nc(NC2CCCCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C18H28N6O2/c1-2-3-7-10-19-18-22-16(21-13-8-5-4-6-9-13)15-17(23-18)24(12-20-15)11-14(25)26/h12-13H,2-11H2,1H3,(H,25,26)(H2,19,21,22,23)	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	6.10E+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))	BDBM50335419 (2-(6-(cyclohexylamino)-2-(pentylamino)-9H-purin-9-...) Show SMILES CCCCCNc1nc(NC2CCCCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C18H28N6O2/c1-2-3-7-10-19-18-22-16(21-13-8-5-4-6-9-13)15-17(23-18)24(12-20-15)11-14(25)26/h12-13H,2-11H2,1H3,(H,25,26)(H2,19,21,22,23)	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