BDBM41005 2-(phenylmethyl)-4H-isoquinoline-1,3-dione::2-benzyl-1,3(2H,4H)-isoquinolinedione::2-benzyl-4H-isoquinoline-1,3-dione::2-benzyl-4H-isoquinoline-1,3-quinone::MLS000540413::SMR000125671::cid_272514

SMILES: O=C1Cc2ccccc2C(=O)N1Cc1ccccc1

InChI Key: InChIKey=WLKLQVQYVROPCI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 41005   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	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	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.95E+4	n/a	n/a	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, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	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	3.89E+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/Q2JS9NZB
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.91E+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
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM41005 (2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...) Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2	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	>1.00E+5	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/Q2F18X8S
					More data for this Ligand-Target Pair