BDBM50253466 CHEMBL507395::Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine

SMILES: CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C

InChI Key: InChIKey=QRLVLVQSHWPUKP-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50253466   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50253466 (CHEMBL507395 | Isobutyl-[6-(3-methyl-butyl)-2-(2-m...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C Show InChI InChI=1S/C17H31N3O2S/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)23(21,22)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	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 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))	BDBM50253466 (CHEMBL507395 | Isobutyl-[6-(3-methyl-butyl)-2-(2-m...) Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C Show InChI InChI=1S/C17H31N3O2S/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)23(21,22)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	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