BDBM50324952 (R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-yl)ethylamino)-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221643

SMILES: CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=RFONTQSPUOYGCX-YJBOKZPZSA-N

Data: 2 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 3 hits for monomerid = 50324952   

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))	BDBM50324952 ((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...) Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/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	1.29	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 (Mus musculus)	BDBM50324952 ((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...) Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	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 mouse 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))	BDBM50324952 ((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...) Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/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	18	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