BDBM50197077 CHEMBL3961452

SMILES: CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=LFSCPQMHLKVFMR-ZNTNEXAZSA-N

Data: 1 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 3 hits for monomerid = 50197077   

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))	BDBM50197077 (CHEMBL3961452) Show SMILES CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H24N4O3/c1-2-22(16-7-13-21(14-8-16)28(30)31)24(17-3-9-19(25)10-4-17)18-5-11-20(12-6-18)27-15-23(26)29/h3-14,27H,2,15,25H2,1H3,(H2,26,29)/b24-22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal CYP19 using MFC as substrate measured after 30 mins by fluorometric analysis				Bioorg Med Chem 24: 5400-5409 (2016) Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50197077 (CHEMBL3961452) Show SMILES CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H24N4O3/c1-2-22(16-7-13-21(14-8-16)28(30)31)24(17-3-9-19(25)10-4-17)18-5-11-20(12-6-18)27-15-23(26)29/h3-14,27H,2,15,25H2,1H3,(H2,26,29)/b24-22+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	346	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysis				Bioorg Med Chem 24: 5400-5409 (2016) Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50197077 (CHEMBL3961452) Show SMILES CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H24N4O3/c1-2-22(16-7-13-21(14-8-16)28(30)31)24(17-3-9-19(25)10-4-17)18-5-11-20(12-6-18)27-15-23(26)29/h3-14,27H,2,15,25H2,1H3,(H2,26,29)/b24-22+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	451	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescent ES2 from recombinant human ERalpha after 2 hrs in absence of light by fluorometric analysis				Bioorg Med Chem 24: 5400-5409 (2016) Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK
					More data for this Ligand-Target Pair