BDBM79431 MLS000519824::SMR000130242::[4-(4-fluorophenyl)-1-piperazinyl]-[1-(4-methoxyanilino)-4-isoquinolinyl]methanone::[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyanilino)isoquinolin-4-yl]methanone::[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]methanone::[4-(4-fluorophenyl)piperazino]-[1-(p-anisidino)-4-isoquinolyl]methanone::cid_9550319

SMILES: COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1

InChI Key: InChIKey=JEGDKRQQLMZELX-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 = 79431   

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-7 (Homo sapiens (Human))	BDBM79431 (MLS000519824 | SMR000130242 | [4-(4-fluorophenyl)-...) Show SMILES COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM79431 (MLS000519824 | SMR000130242 | [4-(4-fluorophenyl)-...) Show SMILES COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24M9315
					More data for this Ligand-Target Pair