Molecular Structure for 222

Pyridine Scaffold 59 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]pyridin-2-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid

Data: 8 KI

Vconf -m prep

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CSLS Chemical Structure Lookup Service
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits in this search
Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Caspase-1 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	1500.0	-33.241	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals			CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-4 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	38000	-25.229	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals		GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-7 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	90.000	-40.215	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals			CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-6 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	120.00	-39.501	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals		GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-5 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	GoogleScholar KEGG UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	11000	-28.302	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals		GoogleScholar KEGG UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-8 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	810.00	-34.768	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals			CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-3 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	30.000	-42.938	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals			CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)
Caspase-2 Homo sapiens (human)	Pyridine Scaffold 59 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)	GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	11000	-28.302	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals			CSLS PC cid PC sid	PubMed	J Med Chem. 45: 5005-22 (2002)