BDBM247 5-[(5-{1-Carboxymethyl-2-[5-(2,6-dichloro-phenyl)-oxazol-2-yl]-2-oxo-ethylcarbamoyl}thiophen-2-ylmethyl)-sulfamoyl]-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-3-carboxy-1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 41b::Thiophene Scaffold 41b

SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=ACBRCEPZVPRKPJ-KRWDZBQOSA-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 = 247   

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))	BDBM247 (5-[(5-{1-Carboxymethyl-2-[5-(2,6-dichloro-phenyl)-...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H19Cl2N3O10S2/c27-15-2-1-3-16(28)22(15)19-11-29-25(41-19)23(35)17(9-21(33)34)31-24(36)20-7-4-12(42-20)10-30-43(39,40)13-5-6-18(32)14(8-13)26(37)38/h1-8,11,17,30,32H,9-10H2,(H,31,36)(H,33,34)(H,37,38)/t17-/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	380	-8.75	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
					More data for this Ligand-Target Pair