BDBM50189088 9a-ethyl-6-propyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one::CHEMBL378883

SMILES: CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O

InChI Key: InChIKey=DMYUGYBCRGPBJT-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 = 50189088   

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))	BDBM50189088 (9a-ethyl-6-propyl-8,9,9a,10-tetrahydro-3H-1,2,3-tr...) Show SMILES CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:3| Show InChI InChI=1S/C18H21N3O/c1-3-5-12-15(22)8-9-18(4-2)10-13-11(16(12)18)6-7-14-17(13)20-21-19-14/h6-7H,3-5,8-10H2,1-2H3,(H,19,20,21)	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	794	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50189088 (9a-ethyl-6-propyl-8,9,9a,10-tetrahydro-3H-1,2,3-tr...) Show SMILES CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:3| Show InChI InChI=1S/C18H21N3O/c1-3-5-12-15(22)8-9-18(4-2)10-13-11(16(12)18)6-7-14-17(13)20-21-19-14/h6-7H,3-5,8-10H2,1-2H3,(H,19,20,21)	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	14	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50189088 (9a-ethyl-6-propyl-8,9,9a,10-tetrahydro-3H-1,2,3-tr...) Show SMILES CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:3| Show InChI InChI=1S/C18H21N3O/c1-3-5-12-15(22)8-9-18(4-2)10-13-11(16(12)18)6-7-14-17(13)20-21-19-14/h6-7H,3-5,8-10H2,1-2H3,(H,19,20,21)	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
Estrogen receptor (Homo sapiens (Human))	BDBM50189088 (9a-ethyl-6-propyl-8,9,9a,10-tetrahydro-3H-1,2,3-tr...) Show SMILES CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:3| Show InChI InChI=1S/C18H21N3O/c1-3-5-12-15(22)8-9-18(4-2)10-13-11(16(12)18)6-7-14-17(13)20-21-19-14/h6-7H,3-5,8-10H2,1-2H3,(H,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	352	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