BDBM50070705 CHEMBL2372759::CHEMBL44612::Nazumamide A (NAZA) analogue

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(O)=O

InChI Key: InChIKey=DMOXUYVVXRBDAT-USHQSSAASA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070705   

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))	BDBM50070705 (CHEMBL2372759 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(O)=O Show InChI InChI=1S/C34H49N5O8/c1-5-21(4)29(39-31(43)25(13-9-10-16-35)36-30(42)24-19-23(40)14-15-28(24)41)33(45)37-26(18-22-11-7-6-8-12-22)32(44)38-27(34(46)47)17-20(2)3/h6-8,11-12,14-15,19-21,25-27,29,40-41H,5,9-10,13,16-18,35H2,1-4H3,(H,36,42)(H,37,45)(H,38,44)(H,39,43)(H,46,47)/t21?,25-,26-,27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair