BDBM50180684 4-OHT::AFIMOXIFENE::Afimoxifene::TamoGel

SMILES: CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1

InChI Key: InChIKey=DODQJNMQWMSYGS-QPLCGJKRSA-N

Data: 6 IC50

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 = 50180684   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal aromatase using testosterone as substrate assessed as formation of estradiol after 10 mins				J Med Chem 59: 5131-48 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D2S
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FR...				ACS Med Chem Lett 8: 102-106 (2017) Article DOI: 10.1021/acsmedchemlett.6b00410 BindingDB Entry DOI: 10.7270/Q2J10557
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2...				Bioorg Med Chem 23: 7597-606 (2015) Article DOI: 10.1016/j.bmc.2015.11.005 BindingDB Entry DOI: 10.7270/Q27W6G6H
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced GREB1 ...				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene as...				Bioorg Med Chem 23: 7597-606 (2015) Article DOI: 10.1016/j.bmc.2015.11.005 BindingDB Entry DOI: 10.7270/Q27W6G6H
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50180684 (4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...				J Med Chem 61: 2837-2864 (2018) Article DOI: 10.1021/acs.jmedchem.7b01682 BindingDB Entry DOI: 10.7270/Q2TB1986
					More data for this Ligand-Target Pair