BDBM278 5-{[(5-{[(2S)-3-carboxy-1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-oxopropan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 60::N-{1-[5-(2,6-Dichloro-phenyl)oxazole-2-carbonyl]-propyl}-6-[(4-hydroxy-3-methyl-benzenesulfonylamino)-methyl]nicotinamide::Pyridine Scaffold 60

SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=VANHQTOUHVZHHF-IBGZPJMESA-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 = 278   

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))	BDBM278 (5-{[(5-{[(2S)-3-carboxy-1-[5-(2,6-dichlorophenyl)-...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C27H20Cl2N4O10S/c28-17-2-1-3-18(29)23(17)21-12-31-26(43-21)24(37)19(9-22(35)36)33-25(38)13-4-5-14(30-10-13)11-32-44(41,42)15-6-7-20(34)16(8-15)27(39)40/h1-8,10,12,19,32,34H,9,11H2,(H,33,38)(H,35,36)(H,39,40)/t19-/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	450	-8.65	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