BDBM50068970 (S)-5-Dimethylamino-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL435520

SMILES: CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O

InChI Key: InChIKey=CVKFRIRQLUWSEG-HMTLIYDFSA-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 = 50068970   

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))	BDBM50068970 ((S)-5-Dimethylamino-3-(2-{3-[(naphthalene-2-carbon...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C27H30N4O6/c1-4-22(26(36)29-21(15-24(33)34)23(32)16-30(2)3)31-13-7-10-20(27(31)37)28-25(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-14,21-22H,4,15-16H2,1-3H3,(H,28,35)(H,29,36)(H,33,34)/t21-,22?/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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair