BindingDB PrimarySearch

BDBM50350702 CHEMBL1814824

SMILES: Cc1cc(=O)[nH]c(=O)n1[C@H]1C[C@H](OP(N)(=O)OC[C@H]2O[C@H](C[C@@H]2OP(N)(=O)OC[C@@H]2C[C@@H](OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H](COP(N)(=O)OC[C@H](COP(N)(=O)OC[C@H](COP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(N)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)O[C@H](CO)n3ccc(=O)[nH]c3=O)O[C@H](CO)n3cnc4c3nc(N)[nH]c4=O)O[C@H](CO)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O2)n2cnc3c2nc(N)[nH]c3=O)n2cc(C)c(=O)[nH]c2=O)[C@@H](COP(N)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(N)(=O)O[C@H]2C[C@@H](O[C@@H]2COC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)O1

InChI Key: InChIKey=ADEHXAVHJUVYRC-MFKXADRRSA-N

Data: 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350702
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50350702 (CHEMBL1814824) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Binding affinity to thrombin at 37 degC by isothermal titration calorimetry				Bioorg Med Chem 19: 4739-45 (2011) Article DOI: 10.1016/j.bmc.2011.06.087 BindingDB Entry DOI: 10.7270/Q2V988G3
University of Southern Denmark Curated by ChEMBL					More data for this Ligand-Target Pair