BDBM50453042 CHEMBL4215468

SMILES: CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O

InChI Key: InChIKey=DWOSJQDDZRKCOZ-GBGMBEOMSA-N

Data: 2 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 = 50453042   

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 (Homo sapiens (Human))	BDBM50453042 (CHEMBL4215468) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C24H28N4O6/c1-13(2)28(27-21(30)16-8-7-14-5-3-4-6-15(14)9-16)23(32)18-12-25-11-17(18)22(31)26-19-10-20(29)34-24(19)33/h3-9,13,17-19,24-25,33H,10-12H2,1-2H3,(H,26,31)(H,27,30)/t17-,18?,19+,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase (Homo sapiens (Human))	BDBM50453042 (CHEMBL4215468) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C24H28N4O6/c1-13(2)28(27-21(30)16-8-7-14-5-3-4-6-15(14)9-16)23(32)18-12-25-11-17(18)22(31)26-19-10-20(29)34-24(19)33/h3-9,13,17-19,24-25,33H,10-12H2,1-2H3,(H,26,31)(H,27,30)/t17-,18?,19+,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair