BDBM50404439 CHEMBL24106

SMILES: CCC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1

InChI Key: InChIKey=GCMZBENCPFICIL-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 = 50404439   

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 (Bos taurus (Bovine))	BDBM50404439 (CHEMBL24106) Show SMILES CCC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1 Show InChI InChI=1S/C26H37N5O7S/c1-4-16-9-11-31(21(12-16)25(33)34)24(32)20(6-5-10-29-26(27)28)30-39(35,36)19-8-7-17-14-22(37-2)23(38-3)15-18(17)13-19/h7-8,13-16,20-21,30H,4-6,9-12H2,1-3H3,(H,33,34)(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	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