BDBM10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a

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

InChI Key: InChIKey=PFAYCUAUBOGVDX-UHFFFAOYSA-N

Data: 8 KI  17 IC50  1 EC50  3 ITC

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 26 hits for monomerid = 10320   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	119	n/a	n/a	n/a	n/a	7.4	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-6 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-8 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-6 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-8 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-6 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-7 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES Show InChI	GoogleScholar	UniChem		56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 10320

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)	GoogleScholar			-10.2	0.641	-10.8	7.48	7.20	25
TBA					Details of this binding reaction
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)	GoogleScholar			-10.3	0.442	-10.7	7.55	7.20	25
TBA					Details of this binding reaction
Caspase-3 (Human)	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)	GoogleScholar			-10.1	0.741	-10.8	7.41	7.20	25
TBA					Details of this binding reaction