BDBM50404573 CHEMBL351371

SMILES: CCCOc1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC)CC1

InChI Key: InChIKey=RJNGTJNLFZXPTE-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 = 50404573   

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))	BDBM50404573 (CHEMBL351371) Show SMILES CCCOc1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC)CC1 Show InChI InChI=1S/C26H39N5O4S/c1-3-18-35-23-11-5-9-21-20(23)8-6-12-24(21)36(33,34)30-22(10-7-15-29-26(27)28)25(32)31-16-13-19(4-2)14-17-31/h5-6,8-9,11-12,19,22,30H,3-4,7,10,13-18H2,1-2H3,(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Bovine thrombin concentration at which clotting time was prolonged 2x over the control.				J Med Chem 23: 830-6 (1980) BindingDB Entry DOI: 10.7270/Q2FQ9XT7
					More data for this Ligand-Target Pair