BDBM19974 (2R,6S,7R)-7-phenyl-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::Benzopyran derivative., 4f(racemate)::racemic mixture

SMILES: Oc1ccc2O[C@H]([C@H]3CCC[C@H]3c2c1)c1ccccc1

InChI Key: InChIKey=XJXOQXSHVJMJAL-VKJFTORMSA-N

Data: 2 KI

PDB links: 7 PDB IDs contain this monomer as substructures. 7 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 = 19974   

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))	BDBM19974 ((2R,6S,7R)-7-phenyl-8-oxatricyclo[7.4.0.0^{2,6}]tr...) Show SMILES Oc1ccc2O[C@H]([C@H]3CCC[C@H]3c2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H18O2/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-3,5-6,9-11,14-15,18-19H,4,7-8H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	-9.84	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))	BDBM19974 ((2R,6S,7R)-7-phenyl-8-oxatricyclo[7.4.0.0^{2,6}]tr...) Show SMILES Oc1ccc2O[C@H]([C@H]3CCC[C@H]3c2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H18O2/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-3,5-6,9-11,14-15,18-19H,4,7-8H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	267	-8.87	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