BDBM50253462 CHEMBL451143::N2-dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine

SMILES: CC(C)CCc1cc(NCC(C)C)nc(n1)N(C)CC(C)C

InChI Key: InChIKey=NSKAIYJKIKEZIG-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 = 50253462   

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))	BDBM50253462 (CHEMBL451143 | N2-dimethyl-N2,N4-diisobutyl-(6-iso...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)N(C)CC(C)C Show InChI InChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+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))	BDBM50253462 (CHEMBL451143 | N2-dimethyl-N2,N4-diisobutyl-(6-iso...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)N(C)CC(C)C Show InChI InChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21)	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))	BDBM50253462 (CHEMBL451143 | N2-dimethyl-N2,N4-diisobutyl-(6-iso...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)N(C)CC(C)C Show InChI InChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+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