BDBM50324954 (R)-2-((S)-4-(2-(1H-indol-1-yl)ethylamino)-2-isopropyl-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221645

SMILES: CC(C)[C@H](CC(=O)NCCn1ccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=NOEOIMZSOIFNRS-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 = 50324954   

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))	BDBM50324954 ((R)-2-((S)-4-(2-(1H-indol-1-yl)ethylamino)-2-isopr...) Show SMILES CC(C)[C@H](CC(=O)NCCn1ccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H27N3O5/c1-14(2)17(21(29)23-16(13-25)11-20(27)28)12-19(26)22-8-10-24-9-7-15-5-3-4-6-18(15)24/h3-7,9,13-14,16-17H,8,10-12H2,1-2H3,(H,22,26)(H,23,29)(H,27,28)/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	Article PubMed	4.03	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))	BDBM50324954 ((R)-2-((S)-4-(2-(1H-indol-1-yl)ethylamino)-2-isopr...) Show SMILES CC(C)[C@H](CC(=O)NCCn1ccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H27N3O5/c1-14(2)17(21(29)23-16(13-25)11-20(27)28)12-19(26)22-8-10-24-9-7-15-5-3-4-6-18(15)24/h3-7,9,13-14,16-17H,8,10-12H2,1-2H3,(H,22,26)(H,23,29)(H,27,28)/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	Article PubMed	n/a	n/a	45.3	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