BDBM19979 (2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-4-one::C-ring modified benzopyran scaffold, 2a

SMILES: Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12

InChI Key: InChIKey=GUBQQMYDBCRCTJ-ZVZYQTTQSA-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 = 19979   

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))	BDBM19979 ((2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatri...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r| Show InChI InChI=1S/C18H16O4/c19-11-3-1-10(2-4-11)18-16-9-13(21)8-14(16)15-7-12(20)5-6-17(15)22-18/h1-7,14,16,18-20H,8-9H2/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.92	-11.0	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: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19979 ((2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatri...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r| Show InChI InChI=1S/C18H16O4/c19-11-3-1-10(2-4-11)18-16-9-13(21)8-14(16)15-7-12(20)5-6-17(15)22-18/h1-7,14,16,18-20H,8-9H2/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	700	-8.31	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: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
					More data for this Ligand-Target Pair