BDBM83940 4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate::CMLD004052::MLS001045840::O4-[5-bromanyl-2-(2-methoxyethyl)-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate::SMR000452737::butanedioic acid O4-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester::cid_16759695::succinic acid O4-[5-bromo-6,8-diketo-2-(2-methoxyethyl)-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester

SMILES: COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1

InChI Key: InChIKey=SCBSGIJTVYKBMG-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 83940   

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-9 (Homo sapiens (Human))	BDBM83940 (4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl...) Show SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5| Show InChI InChI=1S/C25H26BrNO8/c1-25(35-21(29)10-9-20(28)34-4)23(30)18-14-27(11-12-32-2)19(13-17(18)22(26)24(25)31)15-5-7-16(33-3)8-6-15/h5-8,13-14H,9-12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.38E+3	n/a	n/a	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/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83940 (4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl...) Show SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5| Show InChI InChI=1S/C25H26BrNO8/c1-25(35-21(29)10-9-20(28)34-4)23(30)18-14-27(11-12-32-2)19(13-17(18)22(26)24(25)31)15-5-7-16(33-3)8-6-15/h5-8,13-14H,9-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.10E+4	n/a	n/a	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/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83940 (4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl...) Show SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5| Show InChI InChI=1S/C25H26BrNO8/c1-25(35-21(29)10-9-20(28)34-4)23(30)18-14-27(11-12-32-2)19(13-17(18)22(26)24(25)31)15-5-7-16(33-3)8-6-15/h5-8,13-14H,9-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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