BDBM19989 (2R,6S,7R)-10-(hydroxymethyl)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol::A-ring modified benzopyran scaffold, 2d

SMILES: OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1

InChI Key: InChIKey=KJBZSRKWLOOUML-RYRKJORJSA-N

Data: 2 KI

PDB links: 3 PDB IDs contain this monomer as substructures. 3 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 = 19989   

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))	BDBM19989 ((2R,6S,7R)-10-(hydroxymethyl)-7-(4-hydroxyphenyl)-...) Show SMILES OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C19H20O4/c20-10-12-8-14(22)9-17-15-2-1-3-16(15)18(23-19(12)17)11-4-6-13(21)7-5-11/h4-9,15-16,18,20-22H,1-3,10H2/t15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.97	-11.1	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: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19989 ((2R,6S,7R)-10-(hydroxymethyl)-7-(4-hydroxyphenyl)-...) Show SMILES OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r| Show InChI InChI=1S/C19H20O4/c20-10-12-8-14(22)9-17-15-2-1-3-16(15)18(23-19(12)17)11-4-6-13(21)7-5-11/h4-9,15-16,18,20-22H,1-3,10H2/t15-,16+,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	147	-9.22	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: 5082-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.009 BindingDB Entry DOI: 10.7270/Q27S7M2Q
					More data for this Ligand-Target Pair