BDBM50324950 (R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethylamino)-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221811

SMILES: CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=MBDJAEAEBLABLR-HKUYNNGSSA-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 = 50324950   

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))	BDBM50324950 ((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...) Show SMILES CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)19(22(30)25-17(13-26)9-21(28)29)10-20(27)24-8-7-16-12-23-11-15-5-3-4-6-18(15)16/h3-6,11-14,17,19H,7-10H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t17-,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	Article PubMed	4.30	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))	BDBM50324950 ((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...) Show SMILES CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)19(22(30)25-17(13-26)9-21(28)29)10-20(27)24-8-7-16-12-23-11-15-5-3-4-6-18(15)16/h3-6,11-14,17,19H,7-10H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t17-,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	Article PubMed	n/a	n/a	12	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