BDBM36493 E2-NB

SMILES: CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C

InChI Key: InChIKey=NWYBHLVVGGFXBM-ZQECHYLSSA-N

Data: 2 KI

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 2 hits for monomerid = 36493   

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))	BDBM36493 (E2-NB) Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center					Assay Description Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...				ACS Chem Biol 2: 536-44 (2007) Article DOI: 10.1021/cb700072n BindingDB Entry DOI: 10.7270/Q2V69GXR
					More data for this Ligand-Target Pair
G-protein-coupled receptor (GPR30 ) (Homo sapiens (Human))	BDBM36493 (E2-NB) Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r| Show InChI InChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center					Assay Description Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent est...				ACS Chem Biol 2: 536-44 (2007) Article DOI: 10.1021/cb700072n BindingDB Entry DOI: 10.7270/Q2V69GXR
					More data for this Ligand-Target Pair