BDBM50501749 CHEMBL4068292

SMILES: CC1(C)CC(=O)c2cc(C(N)=O)c(=O)oc2C1

InChI Key: InChIKey=QWSJDAHPQJMHTH-UHFFFAOYSA-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 = 50501749   

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
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy))	BDBM50501749 (CHEMBL4068292) Show SMILES CC1(C)CC(=O)c2cc(C(N)=O)c(=O)oc2C1 Show InChI InChI=1S/C12H13NO4/c1-12(2)4-8(14)6-3-7(10(13)15)11(16)17-9(6)5-12/h3H,4-5H2,1-2H3,(H2,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 ...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
					More data for this Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy))	BDBM50501749 (CHEMBL4068292) Show SMILES CC1(C)CC(=O)c2cc(C(N)=O)c(=O)oc2C1 Show InChI InChI=1S/C12H13NO4/c1-12(2)4-8(14)6-3-7(10(13)15)11(16)17-9(6)5-12/h3H,4-5H2,1-2H3,(H2,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 ...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
					More data for this Ligand-Target Pair