BDBM97333 2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino]-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester::2-ethoxyacetic acid [7-[(2-ethoxyacetyl)amino]-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester::MLS002702146::SMR001565711::[7-(2-ethoxyethanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyethanoate::[7-[(2-ethoxyacetyl)amino]-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyacetate::cid_3319168

SMILES: CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12

InChI Key: InChIKey=NGSBHZFTKFWKBZ-UHFFFAOYSA-N

Data: 2 IC50

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 = 97333   

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
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM97333 (2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino...) Show SMILES CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12 Show InChI InChI=1S/C27H33NO8S/c1-6-34-14-23(30)28-19-10-8-16-12-21(36-24(31)15-35-7-2)26(32-3)27(33-4)25(16)17-9-11-22(37-5)20(29)13-18(17)19/h9,11-13,19H,6-8,10,14-15H2,1-5H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9
					More data for this Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1 (Homo sapiens (Human))	BDBM97333 (2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino...) Show SMILES CCOCC(=O)NC1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc12 Show InChI InChI=1S/C27H33NO8S/c1-6-34-14-23(30)28-19-10-8-16-12-21(36-24(31)15-35-7-2)26(32-3)27(33-4)25(16)17-9-11-22(37-5)20(29)13-18(17)19/h9,11-13,19H,6-8,10,14-15H2,1-5H3,(H,28,30)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0
					More data for this Ligand-Target Pair