BDBM50253371 CHEMBL522172::N4-Isobutyl-6-(2-naphthalen-1-yl-ethyl)-N2-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine::N4-isobutyl-6-(2-(naphthalen-1-yl)ethyl)-N2-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine

SMILES: CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1

InChI Key: InChIKey=YTPZHZBEMLHUBF-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50253371   

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
Androgen Receptor (Homo sapiens (Human))	BDBM50253371 (CHEMBL522172 | N4-Isobutyl-6-(2-naphthalen-1-yl-et...) Show SMILES CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C31H32N4/c1-22(2)20-32-30-19-27(18-17-25-13-7-11-23-9-3-5-15-28(23)25)34-31(35-30)33-21-26-14-8-12-24-10-4-6-16-29(24)26/h3-16,19,22H,17-18,20-21H2,1-2H3,(H2,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of AR				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50253371 (CHEMBL522172 | N4-Isobutyl-6-(2-naphthalen-1-yl-et...) Show SMILES CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C31H32N4/c1-22(2)20-32-30-19-27(18-17-25-13-7-11-23-9-3-5-15-28(23)25)34-31(35-30)33-21-26-14-8-12-24-10-4-6-16-29(24)26/h3-16,19,22H,17-18,20-21H2,1-2H3,(H2,32,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50253371 (CHEMBL522172 | N4-Isobutyl-6-(2-naphthalen-1-yl-et...) Show SMILES CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C31H32N4/c1-22(2)20-32-30-19-27(18-17-25-13-7-11-23-9-3-5-15-28(23)25)34-31(35-30)33-21-26-14-8-12-24-10-4-6-16-29(24)26/h3-16,19,22H,17-18,20-21H2,1-2H3,(H2,32,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 b...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair