BDBM50372037 CHEMBL270252

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

InChI Key: InChIKey=YYQVQJJZTOMKHV-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 = 50372037   

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))	BDBM50372037 (CHEMBL270252) Show SMILES Cc1ncn(CC(=O)NCCN)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Show InChI InChI=1S/C22H28N6O4S/c1-16-8-9-19(26-33(31,32)14-18-6-4-3-5-7-18)22(30)28(16)12-20-17(2)25-15-27(20)13-21(29)24-11-10-23/h3-9,15,26H,10-14,23H2,1-2H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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