BDBM19976 4-[(2R,6S,7R)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-7-yl]phenol::Benzopyran derivative., 4i(racemate)::racemic mixture

SMILES: Oc1ccc(cc1)[C@@H]1Oc2ccccc2[C@@H]2CCC[C@H]12

InChI Key: InChIKey=KUGZPMBUEPNCPY-ZVZYQTTQSA-N

Data: 2 KI

PDB links: 8 PDB IDs contain this monomer as substructures. 8 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 = 19976   

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))	BDBM19976 (4-[(2R,6S,7R)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccccc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O2/c19-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)20-18/h1-2,4,7-11,14,16,18-19H,3,5-6H2/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22.1	-10.3	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))	BDBM19976 (4-[(2R,6S,7R)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccccc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O2/c19-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)20-18/h1-2,4,7-11,14,16,18-19H,3,5-6H2/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-9.98	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