BDBM50335412 2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-((tetrahydro-2H-pyran-4-yl)amino)-9H-purin-9-yl)acetic acid::CHEMBL1651698

SMILES: CCCCCN(C(=O)OC(C)(C)C)c1nc(NC2CCOCC2)c2ncn(CC(O)=O)c2n1

InChI Key: InChIKey=JWHPGHCMFVLRJF-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 = 50335412   

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))	BDBM50335412 (2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-((tetr...) Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(NC2CCOCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C22H34N6O5/c1-5-6-7-10-28(21(31)33-22(2,3)4)20-25-18(24-15-8-11-32-12-9-15)17-19(26-20)27(14-23-17)13-16(29)30/h14-15H,5-13H2,1-4H3,(H,29,30)(H,24,25,26)	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
Transcription Factor STAT3 (Mus musculus (mouse))	BDBM50335412 (2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-((tetr...) Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(NC2CCOCC2)c2ncn(CC(O)=O)c2n1 Show InChI InChI=1S/C22H34N6O5/c1-5-6-7-10-28(21(31)33-22(2,3)4)20-25-18(24-15-8-11-32-12-9-15)17-19(26-20)27(14-23-17)13-16(29)30/h14-15H,5-13H2,1-4H3,(H,29,30)(H,24,25,26)	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	2.00E+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