BDBM250 (3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-3-({5-[(4-hydroxybenzene)sulfonamidomethyl]thiophen-2-yl}formamido)-4-oxopentanoic acid::(S)-5-(2-Chloro-benzylsulfanyl)-3-({5-[(4-hydroxy-ben-zenesulfonylamino)methyl]thiophene-2-carbonyl}amino)-4-oxo-pentanoic Acid::Inhibitor 75::Thiophene Scaffold 75

SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)s1)C(=O)CSCc1ccccc1Cl

InChI Key: InChIKey=HHAHHFFADDXEEC-FQEVSTJZSA-N

Data: 1 KI

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 1 hit for monomerid = 250   

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))	BDBM250 ((3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-3-({5-[(...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)s1)C(=O)CSCc1ccccc1Cl |r| Show InChI InChI=1S/C24H23ClN2O7S3/c25-19-4-2-1-3-15(19)13-35-14-21(29)20(11-23(30)31)27-24(32)22-10-7-17(36-22)12-26-37(33,34)18-8-5-16(28)6-9-18/h1-10,20,26,28H,11-14H2,(H,27,32)(H,30,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	-7.66	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
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