BDBM50253440 CHEMBL494493::N4-Benzyl-N2-isobutyl-6-(3-methyl-butyl)-pyrimidine-2,4-diamine

SMILES: CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1

InChI Key: InChIKey=WWRVFAADJGIWGG-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 = 50253440   

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))	BDBM50253440 (CHEMBL494493 | N4-Benzyl-N2-isobutyl-6-(3-methyl-b...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)10-11-18-12-19(21-14-17-8-6-5-7-9-17)24-20(23-18)22-13-16(3)4/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+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))	BDBM50253440 (CHEMBL494493 | N4-Benzyl-N2-isobutyl-6-(3-methyl-b...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)10-11-18-12-19(21-14-17-8-6-5-7-9-17)24-20(23-18)22-13-16(3)4/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)	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))	BDBM50253440 (CHEMBL494493 | N4-Benzyl-N2-isobutyl-6-(3-methyl-b...) Show SMILES CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)10-11-18-12-19(21-14-17-8-6-5-7-9-17)24-20(23-18)22-13-16(3)4/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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