BDBM50324957 (R)-2-((S)-4-(2-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)ethylamino)-2-isopropyl-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221688

SMILES: CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=YSZOECXLIFTNLN-IRXDYDNUSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50324957   

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))	BDBM50324957 ((R)-2-((S)-4-(2-(5,6-dimethyl-1H-benzo[d]imidazol-...) Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N4O5/c1-13(2)17(22(31)25-16(11-27)9-21(29)30)10-20(28)23-5-6-26-12-24-18-7-14(3)15(4)8-19(18)26/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,31)(H,29,30)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50324957 ((R)-2-((S)-4-(2-(5,6-dimethyl-1H-benzo[d]imidazol-...) Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N4O5/c1-13(2)17(22(31)25-16(11-27)9-21(29)30)10-20(28)23-5-6-26-12-24-18-7-14(3)15(4)8-19(18)26/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,31)(H,29,30)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair