BDBM77498 5-(5-bromanylfuran-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furanyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one::5-(5-bromofuran-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::MLS000534730::SMR000142147::cid_2925038

SMILES: CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12

InChI Key: InChIKey=RYYGQQKVEMFWTE-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 77498   

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
Caspase-3 (Homo sapiens (Human))	BDBM77498 (5-(5-bromanylfuran-2-yl)-2,2-dimethyl-1,3,5,6-tetr...) Show SMILES CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12 |c:6| Show InChI InChI=1S/C23H20BrNO2/c1-23(2)11-15-20-14-6-4-3-5-13(14)7-8-16(20)25-22(21(15)17(26)12-23)18-9-10-19(24)27-18/h3-10,22,25H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77498 (5-(5-bromanylfuran-2-yl)-2,2-dimethyl-1,3,5,6-tetr...) Show SMILES CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12 |c:6| Show InChI InChI=1S/C23H20BrNO2/c1-23(2)11-15-20-14-6-4-3-5-13(14)7-8-16(20)25-22(21(15)17(26)12-23)18-9-10-19(24)27-18/h3-10,22,25H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair