null

SMILES: CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl

InChI Key: InChIKey=YGBPNTMPNPGUMG-KTQQKIMGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50071543   

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-1 (Homo sapiens (Human))	BDBM50071543 ((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...) Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C20H23Cl3N2O7/c1-9(2)19(24-10(3)26)20(31)25-14(7-16(28)29)15(27)8-32-17(30)6-11-12(21)4-5-13(22)18(11)23/h4-5,9,14,19H,6-8H2,1-3H3,(H,24,26)(H,25,31)(H,28,29)/t14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50071543 ((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...) Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C20H23Cl3N2O7/c1-9(2)19(24-10(3)26)20(31)25-14(7-16(28)29)15(27)8-32-17(30)6-11-12(21)4-5-13(22)18(11)23/h4-5,9,14,19H,6-8H2,1-3H3,(H,24,26)(H,25,31)(H,28,29)/t14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (combinatorially prepared compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50071543 ((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...) Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C20H23Cl3N2O7/c1-9(2)19(24-10(3)26)20(31)25-14(7-16(28)29)15(27)8-32-17(30)6-11-12(21)4-5-13(22)18(11)23/h4-5,9,14,19H,6-8H2,1-3H3,(H,24,26)(H,25,31)(H,28,29)/t14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair