BDBM50404388 CHEMBL23332

SMILES: CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=IFLRPOIEUGFXQU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50404388   

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
Thrombin (Bos taurus (Bovine))	BDBM50404388 (CHEMBL23332) Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C25H36N6O5S/c1-16-12-14-31(21(15-16)24(33)34)23(32)19(9-6-13-28-25(26)27)29-37(35,36)22-11-5-7-17-18(22)8-4-10-20(17)30(2)3/h4-5,7-8,10-11,16,19,21,29H,6,9,12-15H2,1-3H3,(H,33,34)(H4,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin				J Med Chem 23: 1293-9 (1981) BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
					More data for this Ligand-Target Pair