BDBM20628 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol::CHEMBL431698::benzthiophene compound, 3

SMILES: Oc1ccc(cc1)-c1cc2ccc(O)cc2s1

InChI Key: InChIKey=MDGWZLQPNOETLH-UHFFFAOYSA-N

Data: 2 KI  2 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer. 4 PDB IDs contain this monomer as substructures. 6 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 6 hits for monomerid = 20628   

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
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin)				Bioorg Med Chem 24: 759-67 (2016) Article DOI: 10.1016/j.bmc.2015.12.045 BindingDB Entry DOI: 10.7270/Q2GX4FJB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin)				Bioorg Med Chem 24: 759-67 (2016) Article DOI: 10.1016/j.bmc.2015.12.045 BindingDB Entry DOI: 10.7270/Q2GX4FJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Activity against estrogen receptor alpha				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	17	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.41E+3	n/a	50	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Activity against estrogen receptor alpha				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair				3D Structure (crystal)