BDBM50364075 CHEMBL1950809

SMILES: Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1

InChI Key: InChIKey=GHZHWDWADLAOIQ-CYBMUJFWSA-N

Data: 1 KI  8 EC50

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 9 hits for monomerid = 50364075   

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 (Rattus norvegicus)	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]E2 from rat ERbeta1 after 90 mins				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	317	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human ERalpha expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human N-His6-tagged terbium-labelled ERalpha ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitme...				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERalpha ligand binding domain expressed in Escherichia coli BL21 cells after 1 ...				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.760	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERbeta ligand binding domain expressed in Escherichia coli BL21 cells after 1 h...				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	212	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human ERalpha expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50364075 (CHEMBL1950809) Show SMILES Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32.3	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Agonist activity at human N-His6-tagged terbium-labelled ERbeta ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitmen...				J Med Chem 55: 528-37 (2012) Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M
					More data for this Ligand-Target Pair