BDBM19970 (2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-ol::Benzopyran derivative., 4a(racemate)::racemic mixture

SMILES: Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1

InChI Key: InChIKey=PULOCCRMJJNDDU-AWEZNQCLSA-N

Data: 2 KI

PDB links: 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 19970   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM19970 ((2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyr...) Show SMILES Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1 |r| Show InChI InChI=1S/C15H14O3/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14,16-17H,3,7H2/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20.8	-10.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19970 ((2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyr...) Show SMILES Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1 |r| Show InChI InChI=1S/C15H14O3/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14,16-17H,3,7H2/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	126	-9.31	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 3570-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.051 BindingDB Entry DOI: 10.7270/Q2H70D30
					More data for this Ligand-Target Pair