BDBM50223715 CHEMBL3706732

SMILES: CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=LHPCGJVWVCFFAG-WSJPMQGYSA-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 = 50223715   

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
Calpain1 (Homo sapiens (Human))	BDBM50223715 (CHEMBL3706732) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against on human calpain 1				Bioorg Med Chem Lett 14: 3825-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.105 BindingDB Entry DOI: 10.7270/Q2NK3DH6
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50223715 (CHEMBL3706732) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against on calpain 1 in C6 glial cells				Bioorg Med Chem Lett 14: 3825-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.105 BindingDB Entry DOI: 10.7270/Q2NK3DH6
					More data for this Ligand-Target Pair