BDBM50138883 6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine::6-butyl-2,4-dipropylaminopyrimidine::CHEMBL352024

SMILES: CCCCc1cc(NCCC)nc(NCCC)n1

InChI Key: InChIKey=UYWCDBMUBBSZOJ-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50138883   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	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 steroid receptor coactivator 2 interaction by fluorescence polarization assay				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
Estrogen receptor (Homo sapiens (Human))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	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
Estrogen receptor (Homo sapiens (Human))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor was determined				J Med Chem 47: 600-11 (2004) Article DOI: 10.1021/jm030404c BindingDB Entry DOI: 10.7270/Q20C4ZH7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+4	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 steroid receptor coactivator 2 interaction by fluorescence polarization assay				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))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	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
Estrogen receptor (Homo sapiens (Human))	BDBM50138883 (6-Butyl-N*2*,N*4*-dipropyl-pyrimidine-2,4-diamine ...) Show SMILES CCCCc1cc(NCCC)nc(NCCC)n1 Show InChI InChI=1S/C14H26N4/c1-4-7-8-12-11-13(15-9-5-2)18-14(17-12)16-10-6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...				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