BDBM50253380 CHEMBL494706::N,N,N-Triisobutyl-pyrimidine-2,4,6-triamine

SMILES: CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1

InChI Key: InChIKey=HVZSNANIMUMCPH-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 = 50253380   

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))	BDBM50253380 (CHEMBL494706 | N,N,N-Triisobutyl-pyrimidine-2,4,6-...) Show SMILES CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50253380 (CHEMBL494706 | N,N,N-Triisobutyl-pyrimidine-2,4,6-...) Show SMILES CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.99E+5	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))	BDBM50253380 (CHEMBL494706 | N,N,N-Triisobutyl-pyrimidine-2,4,6-...) Show SMILES CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+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