BDBM50253343 CHEMBL494717::N,N-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diamine

SMILES: CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1

InChI Key: InChIKey=JXICFBPVMKMPAU-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50253343   

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))	BDBM50253343 (CHEMBL494717 | N,N-diisobutyl-(6-phenethyl-pyrimid...) Show SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)13-21-19-12-18(11-10-17-8-6-5-7-9-17)23-20(24-19)22-14-16(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))	BDBM50253343 (CHEMBL494717 | N,N-diisobutyl-(6-phenethyl-pyrimid...) Show SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)13-21-19-12-18(11-10-17-8-6-5-7-9-17)23-20(24-19)22-14-16(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))	BDBM50253343 (CHEMBL494717 | N,N-diisobutyl-(6-phenethyl-pyrimid...) Show SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)13-21-19-12-18(11-10-17-8-6-5-7-9-17)23-20(24-19)22-14-16(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	2.10E+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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50253343 (CHEMBL494717 | N,N-diisobutyl-(6-phenethyl-pyrimid...) Show SMILES CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1 Show InChI InChI=1S/C20H30N4/c1-15(2)13-21-19-12-18(11-10-17-8-6-5-7-9-17)23-20(24-19)22-14-16(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	>1.00E+6	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 ERbeta in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene a...				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