BDBM50144780 3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo[1,4]oxazin-7-ol::CHEMBL77620

SMILES: CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1

InChI Key: InChIKey=WWJZJWIIIZNMSR-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50144780   

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 beta (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 2-mediated transcription.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144780 (3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...) Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12| Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to activate estrogen receptor 1-mediated transcription.				Bioorg Med Chem Lett 14: 2327-30 (2004) Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS
					More data for this Ligand-Target Pair