BDBM10324 (S)-1-[(tert-Butoxycarbonyl)methyl]-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::Isatin Sulfonamide 35::tert-butyl 2-(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indol-1-yl)acetate

SMILES: CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1

InChI Key: InChIKey=ICYOAHGNCPYQFG-KRWDZBQOSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 10324   

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-3 (Homo sapiens (Human))	BDBM10324 ((S)-1-[(tert-Butoxycarbonyl)methyl]-5-{1-[2-(pheno...) Show SMILES CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C25H28N2O7S/c1-25(2,3)34-22(28)15-26-21-12-11-19(14-20(21)23(29)24(26)30)35(31,32)27-13-7-8-17(27)16-33-18-9-5-4-6-10-18/h4-6,9-12,14,17H,7-8,13,15-16H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Osmania University College for Women Curated by ChEMBL					Assay Description Inhibition of caspase 3 in human SK-N-SH cells assessed as accumulation of fluorogenic 7-amino-4-methyl coumarin by flurometric assay				Bioorg Med Chem 17: 6040-7 (2009) Article DOI: 10.1016/j.bmc.2009.06.069 BindingDB Entry DOI: 10.7270/Q2CC10R2
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10324 ((S)-1-[(tert-Butoxycarbonyl)methyl]-5-{1-[2-(pheno...) Show SMILES CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C25H28N2O7S/c1-25(2,3)34-22(28)15-26-21-12-11-19(14-20(21)23(29)24(26)30)35(31,32)27-13-7-8-17(27)16-33-18-9-5-4-6-10-18/h4-6,9-12,14,17H,7-8,13,15-16H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair