BDBM50340546 (S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-ylsulfonyl)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)indoline-2,3-dione::CHEMBL1762366

SMILES: FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1

InChI Key: InChIKey=IPBPQSZVGDLNHE-INIZCTEOSA-N

Data: 5 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 6 hits for monomerid = 50340546   

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-1 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 1 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by micropl...				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 8 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 6 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair