BDBM50372046 CHEMBL401682

SMILES: Cc1ncn(CC(=O)NC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O

InChI Key: InChIKey=QBYRJNHTXFGMGJ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50372046   

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
Prothrombin (Homo sapiens (Human))	BDBM50372046 (CHEMBL401682) Show SMILES Cc1ncn(CC(=O)NC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C24H31N5O4S/c1-17-11-12-20(27-34(32,33)15-19-9-7-6-8-10-19)23(31)29(17)13-21-18(2)25-16-28(21)14-22(30)26-24(3,4)5/h6-12,16,27H,13-15H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 18: 2062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.098 BindingDB Entry DOI: 10.7270/Q2P27005
					More data for this Ligand-Target Pair