BDBM50253465 CHEMBL492875::N4-Dimethyl-N2,N4-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diamine

SMILES: CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C

InChI Key: InChIKey=ITCWMUJOITWVFO-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50253465   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50253465 (CHEMBL492875 | N4-Dimethyl-N2,N4-diisobutyl-(6-phe...) Show SMILES CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C Show InChI InChI=1S/C21H32N4/c1-16(2)14-22-21-23-19(12-11-18-9-7-6-8-10-18)13-20(24-21)25(5)15-17(3)4/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	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))	BDBM50253465 (CHEMBL492875 | N4-Dimethyl-N2,N4-diisobutyl-(6-phe...) Show SMILES CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C Show InChI InChI=1S/C21H32N4/c1-16(2)14-22-21-23-19(12-11-18-9-7-6-8-10-18)13-20(24-21)25(5)15-17(3)4/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,22,23,24)	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))	BDBM50253465 (CHEMBL492875 | N4-Dimethyl-N2,N4-diisobutyl-(6-phe...) Show SMILES CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C Show InChI InChI=1S/C21H32N4/c1-16(2)14-22-21-23-19(12-11-18-9-7-6-8-10-18)13-20(24-21)25(5)15-17(3)4/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	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