BDBM50189083 (S)(-)-9a-Ethyl-6-trifluoromethyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one::CHEMBL212391

SMILES: CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F

InChI Key: InChIKey=GXLFDCLARNPEMV-HNNXBMFYSA-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 = 50189083   

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))	BDBM50189083 ((S)(-)-9a-Ethyl-6-trifluoromethyl-8,9,9a,10-tetrah...) Show SMILES CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C16H14F3N3O/c1-2-15-6-5-11(23)13(16(17,18)19)12(15)8-3-4-10-14(9(8)7-15)21-22-20-10/h3-4H,2,5-7H2,1H3,(H,20,21,22)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50189083 ((S)(-)-9a-Ethyl-6-trifluoromethyl-8,9,9a,10-tetrah...) Show SMILES CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C16H14F3N3O/c1-2-15-6-5-11(23)13(16(17,18)19)12(15)8-3-4-10-14(9(8)7-15)21-22-20-10/h3-4H,2,5-7H2,1H3,(H,20,21,22)/t15-/m0/s1	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	4.90	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant ERbeta expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50189083 ((S)(-)-9a-Ethyl-6-trifluoromethyl-8,9,9a,10-tetrah...) Show SMILES CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C16H14F3N3O/c1-2-15-6-5-11(23)13(16(17,18)19)12(15)8-3-4-10-14(9(8)7-15)21-22-20-10/h3-4H,2,5-7H2,1H3,(H,20,21,22)/t15-/m0/s1	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	241	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant ERalpha expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50189083 ((S)(-)-9a-Ethyl-6-trifluoromethyl-8,9,9a,10-tetrah...) Show SMILES CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C16H14F3N3O/c1-2-15-6-5-11(23)13(16(17,18)19)12(15)8-3-4-10-14(9(8)7-15)21-22-20-10/h3-4H,2,5-7H2,1H3,(H,20,21,22)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair