BDBM83998 4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4-oxobutanoic acid::4-(4-bromophenyl)-2-[1-(2-cyanoethyl)indol-3-yl]-4-keto-butyric acid::4-(4-bromophenyl)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-butanoic acid::4-(4-bromophenyl)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxobutanoic acid::MLS000120573::SMR000097427::cid_5308016

SMILES: OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12

InChI Key: InChIKey=SDCHITMWRYRRFA-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 = 83998   

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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83998 (4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4...) Show SMILES OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12 Show InChI InChI=1S/C21H17BrN2O3/c22-15-8-6-14(7-9-15)20(25)12-17(21(26)27)18-13-24(11-3-10-23)19-5-2-1-4-16(18)19/h1-2,4-9,13,17H,3,11-12H2,(H,26,27)	PDB MMDB 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	2.29E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29C6VXX
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83998 (4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4...) Show SMILES OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12 Show InChI InChI=1S/C21H17BrN2O3/c22-15-8-6-14(7-9-15)20(25)12-17(21(26)27)18-13-24(11-3-10-23)19-5-2-1-4-16(18)19/h1-2,4-9,13,17H,3,11-12H2,(H,26,27)	PDB MMDB 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	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB447H
					More data for this Ligand-Target Pair