BDBM19991 (2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::A/C-ring modified benzopyran scaffold, 4b

SMILES: COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1

InChI Key: InChIKey=GPFRMIHXGMVMGF-KZNAEPCWSA-N

Data: 2 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 = 19991   

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))	BDBM19991 ((2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...) Show SMILES COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	118	-9.35	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: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19991 ((2S,6R,7S)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...) Show SMILES COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	198	-9.05	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: 5563-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.009 BindingDB Entry DOI: 10.7270/Q2416VB9
					More data for this Ligand-Target Pair